Sl System Expt G4(MP2) G4 ccCA CBS-QB3 BLYP PW91 PBE TPSS B3LYP B3LYP-D3 O3LYP X3LYP PBE0 TPSS0 TPSS0-D3 M06-2X M06-2X-D3 wB97X wB97X-D3 wB97X-V wB97X-D3BJ wB97M-V wB97M-D3BJ CAM-B3LYP B2PLYP B2PLYP-D3 mPW2PLYP-D PM6 PM7 1 Dilithium 51.60 53.08 51.90 50.49 51.46 52.38 49.61 49.24 49.16 52.67 52.23 49.67 52.35 49.71 49.75 49.42 51.80 51.80 51.12 50.51 50.45 50.77 failed failed 52.79 52.68 52.45 52.43 43.16 60.90 2 Lithium fluoride -80.78 -80.40 -80.60 -81.97 -80.34 -82.96 -79.21 -78.84 -79.07 -81.46 -81.14 -77.70 -80.77 -77.46 -77.75 -77.51 -78.12 -78.11 -79.80 -79.14 -78.37 -78.88 failed failed -80.50 -81.65 -81.49 -80.68 -85.96 -81.44 3 Carbon monoxide -26.41 -28.21 -27.37 -26.84 -26.89 -23.47 -15.96 -15.99 -20.13 -24.45 -22.86 -16.15 -24.15 -19.10 -22.39 -21.18 -27.00 -26.97 -25.12 -24.78 -25.60 -25.91 -27.79 -28.70 -24.89 -24.90 -24.15 -24.60 -13.72 -18.31 4 Nitrogen 0.00 -0.40 -0.33 -0.18 0.81 11.66 14.46 14.57 11.66 6.87 6.90 11.70 6.75 8.12 5.85 5.87 1.28 1.24 3.20 3.77 2.86 2.64 2.24 1.97 4.41 3.44 3.43 2.63 40.57 32.99 5 Fluorine 0.00 1.12 0.77 0.92 -0.86 -8.72 -3.18 -3.91 -5.94 -1.70 -1.06 3.23 -0.60 2.61 1.08 1.57 6.74 6.76 3.75 2.75 3.94 1.93 3.26 1.67 3.78 0.88 1.13 3.38 0.34 -15.87 6 Carbon dioxide -94.05 -94.80 -94.98 -94.05 -95.82 -93.13 -90.01 -90.12 -91.51 -95.25 -94.01 -91.88 -94.99 -93.55 -94.68 -93.74 -97.02 -96.99 -96.30 -96.30 -95.29 -95.87 -95.90 -96.81 -95.37 -95.67 -95.09 -95.67 -84.81 -84.52 7 Disodium 33.96 33.92 32.85 32.69 33.74 30.16 28.09 27.33 29.98 31.26 30.44 27.64 30.60 29.11 31.14 30.52 31.82 31.82 34.79 34.69 32.21 31.96 failed failed 32.17 32.17 31.73 31.41 62.66 106.62 8 Disilicon 139.55 138.09 138.75 140.24 139.75 133.68 130.13 128.60 138.55 137.25 137.76 133.15 137.05 132.29 139.73 140.11 135.82 135.85 139.32 139.19 147.98 148.96 138.12 138.49 139.83 141.68 141.98 141.77 122.36 130.57 9 Diphosphorus 34.42 33.52 34.73 35.40 33.98 27.95 34.24 34.33 36.07 31.60 33.77 36.40 31.86 37.59 38.83 40.44 37.23 37.23 37.06 35.92 36.89 40.45 34.87 34.55 33.65 33.70 34.86 34.27 38.14 1.98 10 Chlorine 0.00 -0.68 0.57 0.09 -1.81 -8.12 -2.13 -2.21 -4.00 -5.44 -2.16 -1.22 -4.83 -0.32 -1.72 0.73 -0.56 -0.57 0.89 -0.14 1.84 2.88 0.47 -0.53 -2.61 -1.87 -0.21 -0.70 -0.42 4.93 11 Sodium chloride -43.36 -43.31 -43.28 -43.01 -44.45 -42.46 -40.40 -39.92 -42.89 -43.37 -42.03 -40.60 -42.90 -41.49 -43.72 -42.72 -42.70 -42.70 -44.89 -45.10 -43.13 -43.00 failed failed -43.67 -43.06 -42.39 -42.61 -49.40 -35.98 12 Silicon monoxide -23.90 -24.85 -23.78 -23.81 -25.33 -24.11 -20.46 -20.30 -17.06 -22.34 -21.42 -19.61 -22.30 -18.67 -16.28 -15.58 -23.40 -23.38 -21.36 -20.86 -22.69 -20.01 -26.06 -26.20 -23.16 -23.62 -23.05 -23.32 9.69 -13.48 13 Carbon monosulfide 66.50 63.34 65.75 66.80 66.25 66.11 73.84 73.72 70.31 68.96 71.19 75.75 69.50 75.30 72.48 74.15 70.13 70.13 71.34 71.15 70.68 71.64 68.59 67.98 70.82 68.67 69.76 69.69 89.96 82.54 14 Sulfur dioxide -70.94 -70.40 -69.74 -70.63 -71.14 -67.08 -66.33 -66.05 -66.50 -67.68 -67.28 -67.31 -67.59 -66.57 -66.82 -66.53 -68.20 -68.20 -68.98 -68.95 -69.01 -68.38 -70.49 -70.58 -69.15 -70.58 -70.36 -70.59 -62.91 -65.20 15 Boron trifluoride -271.21 -267.70 -268.62 -269.74 -271.33 -267.92 -265.79 -265.09 -264.76 -269.88 -270.06 -267.33 -269.81 -267.70 -267.40 -267.53 -270.92 -270.90 -266.66 -267.04 -265.79 -267.24 -267.21 -268.20 -269.53 -271.45 -271.57 -271.30 -269.90 -271.32 16 Aluminium trichloride -139.72 -142.19 -141.25 -140.87 -148.56 -143.04 -140.64 -140.78 -141.44 -143.10 -140.33 -142.03 -142.93 -141.48 -142.00 -139.93 -140.38 -140.37 -141.76 -141.88 -140.87 -138.97 -140.50 -140.94 -142.70 -141.54 -140.06 -141.07 -139.94 -141.69 17 Carbon tetrafluoride -222.19 -222.72 -223.05 -223.13 -226.75 -221.50 -220.01 -220.41 -220.77 -223.22 -221.66 -222.92 -222.98 -223.25 -223.54 -222.35 -223.42 -223.37 -221.99 -222.72 -220.93 -222.05 -221.76 -222.72 -222.37 -223.49 -222.79 -222.34 -219.09 -215.94 18 Carbon tetrachloride -22.88 -25.31 -23.59 -22.96 -30.18 -25.35 -23.17 -23.36 -22.91 -23.46 -21.78 -22.42 -23.24 -21.71 -21.41 -20.11 -21.71 -21.70 -21.39 -21.01 -21.03 -19.96 -21.43 -21.43 -22.40 -22.79 -21.92 -21.61 -23.36 -21.47 19 Carbonyl sulfide -33.91 -36.50 -35.62 -34.29 -36.36 -36.92 -33.35 -33.37 -35.01 -36.63 -34.95 -33.70 -36.29 -33.81 -35.12 -33.86 -36.58 -36.57 -35.41 -35.63 -34.84 -34.14 -35.46 -36.03 -35.66 -36.61 -35.79 -36.28 -25.67 -24.62 20 Silicon tetrafluoride -385.99 -386.58 -385.76 -385.10 -388.23 -374.23 -369.15 -367.65 -370.15 -378.90 -378.44 -372.58 -378.81 -373.86 -375.67 -375.31 -384.08 -384.03 -377.20 -376.49 -376.14 -376.36 -377.67 -379.02 -379.69 -383.85 -383.57 -384.14 -375.16 -365.10 21 Nitrous oxide 19.55 19.79 19.01 19.83 18.34 22.53 20.03 19.62 20.18 21.24 20.84 18.10 21.35 18.58 19.02 18.71 19.73 19.70 19.53 19.27 20.16 19.85 21.77 21.62 21.48 18.28 18.07 18.23 27.89 27.95 22 Nitrosyl chloride 12.48 12.20 13.11 13.28 11.61 4.29 7.66 7.41 6.57 9.52 10.66 11.33 10.09 12.84 12.09 12.94 15.37 15.36 15.42 14.41 15.48 15.88 14.57 13.92 14.04 11.63 12.23 12.77 20.75 17.66 23 Nitrogen trifluoride -31.57 -31.61 -32.13 -31.24 -34.86 -41.81 -41.00 -41.90 -41.48 -35.60 -35.32 -36.52 -34.97 -35.24 -34.98 -34.76 -29.55 -29.55 -33.34 -33.78 -33.53 -34.77 -33.04 -33.69 -32.38 -31.93 -31.85 -30.11 -29.23 -28.17 24 Phosphorus trifluoride -228.94 -228.46 -227.44 -227.62 -227.61 -231.44 -224.51 -223.57 -226.49 -231.13 -229.75 -224.27 -230.84 -224.06 -226.31 -225.27 -226.81 -226.79 -226.99 -227.06 -226.70 -225.48 -229.21 -230.39 -231.50 -230.20 -229.48 -229.72 -228.10 -238.29 25 Ozone 34.00 35.41 34.19 36.07 33.84 29.99 30.20 29.15 30.24 38.69 38.55 36.95 39.51 39.31 40.15 40.04 46.28 46.30 40.45 40.14 39.97 39.24 41.05 40.73 42.74 35.46 35.37 38.06 43.48 34.53 26 Oxygen difluoride 5.88 7.23 6.42 6.95 3.84 -7.18 -2.46 -3.24 -5.40 1.59 2.06 5.79 2.60 5.56 3.90 4.26 10.25 10.27 6.77 6.10 6.13 4.41 5.85 4.65 6.84 6.33 6.50 8.69 4.26 3.49 27 Chlorine trifluoride -38.79 -37.67 -38.62 -38.73 -36.33 -65.55 -60.53 -60.96 -59.67 -50.07 -48.31 -49.47 -48.53 -43.25 -42.43 -41.10 -32.61 -32.59 -37.08 -38.42 -36.04 -36.78 -38.52 -39.76 -41.48 -44.78 -43.92 -40.65 -30.91 -31.15 28 Tetrafluoroethylene -157.51 -160.44 -160.63 -160.69 -165.00 -168.41 -164.95 -165.21 -165.66 -166.33 -164.24 -164.71 -165.65 -163.69 -164.07 -162.47 -162.20 -162.13 -162.55 -163.48 -160.81 -162.14 -161.31 -162.73 -163.80 -162.75 -161.80 -161.23 -169.13 -166.46 29 Tetraphosphorus 14.10 11.45 14.62 15.88 11.55 15.23 4.87 3.20 7.34 16.20 14.23 5.83 16.00 5.68 8.79 7.31 8.69 8.68 8.87 10.25 8.66 5.93 12.56 14.10 16.91 15.65 14.56 15.71 19.75 23.11 30 Sulfur trioxide -94.59 -93.07 -92.65 -93.07 -94.53 -84.58 -88.88 -88.80 -89.17 -88.69 -89.24 -92.89 -88.88 -92.67 -92.78 -93.21 -92.73 -92.72 -94.06 -93.91 -94.02 -93.84 -93.94 -93.74 -91.53 -92.85 -93.08 -93.73 -93.62 -101.45 31 Phosphorus oxychloride -133.64 -133.17 -131.39 -131.33 -137.97 -131.53 -131.19 -130.55 -131.71 -134.18 -134.48 -133.35 -134.30 -133.46 -134.33 -134.55 -132.37 -132.37 -134.84 -135.07 -134.54 -135.54 -134.74 -135.31 -135.91 -134.26 -134.38 -135.19 -121.83 -129.76 32 Phosphorus pentachloride -87.85 -90.58 -86.98 -86.70 -98.42 -90.33 -92.06 -91.61 -91.88 -89.70 -92.63 -90.52 -89.79 -90.21 -90.40 -92.59 -87.11 -87.13 -87.95 -88.62 -88.20 -92.02 -89.89 -90.03 -88.96 -89.30 -90.84 -89.51 -90.56 -64.57 33 Sulfuryl chloride -85.90 -83.82 -82.63 -82.38 -86.07 -80.81 -84.89 -84.71 -83.60 -82.27 -83.12 -87.02 -82.39 -85.30 -84.34 -84.98 -82.19 -82.20 -82.99 -83.36 -82.82 -83.75 -83.28 -83.09 -82.76 -83.77 -84.14 -84.35 -81.46 -83.31 34 Phosphorus trichloride -69.00 -69.49 -66.24 -67.01 -72.50 -77.66 -73.40 -73.07 -73.44 -75.55 -73.94 -71.94 -75.26 -71.23 -71.64 -70.43 -69.65 -69.66 -69.98 -70.90 -69.28 -69.06 -71.28 -72.03 -73.35 -71.29 -70.47 -71.07 -74.60 -63.60 35 Disulfur dichloride -4.00 -9.06 -5.44 -5.97 -10.14 -16.73 -14.81 -14.57 -14.39 -13.25 -12.41 -12.10 -12.92 -10.54 -10.57 -9.97 -9.51 -9.56 -6.37 -7.55 -6.06 -6.47 -7.37 -7.52 -9.44 -8.86 -8.51 -8.76 -1.59 -4.77 36 Dichlorosilylene -40.30 -42.43 -40.20 -40.19 -44.30 -45.42 -42.84 -42.97 -40.18 -43.78 -41.88 -42.38 -43.62 -41.51 -39.57 -38.16 -42.29 -42.29 -40.56 -40.92 -40.56 -40.54 -43.70 -44.23 -42.25 -41.38 -40.42 -41.03 -39.17 -4.46 37 Chlorotrifluoromethane -169.17 -169.43 -169.45 -169.51 -174.07 -171.43 -169.36 -169.71 -169.81 -171.54 -169.26 -171.02 -171.27 -170.61 -170.73 -168.99 -169.93 -169.88 -169.74 -170.16 -168.74 -168.63 -169.31 -170.04 -170.56 -170.60 -169.47 -169.40 -171.65 -168.64 38 Hexafluoroethane -321.27 -320.38 -321.35 -320.54 -327.77 -317.04 -316.90 -317.20 -317.03 -319.89 -318.72 -320.18 -319.97 -320.98 -320.92 -320.02 -321.68 -321.61 -320.53 -320.83 -319.93 -320.58 -320.02 -320.37 -320.27 -320.61 -320.09 -320.37 -314.35 -311.88 39 Nitryl chloride 2.90 3.05 2.16 3.14 -0.42 -6.99 -8.92 -9.42 -6.59 -2.58 -2.22 -6.94 -2.21 -3.61 -1.36 -1.10 2.77 2.77 0.72 -0.03 1.25 1.82 2.33 2.26 0.62 -0.79 -0.56 0.14 2.63 6.69 40 Sodium fluoride -69.41 -68.49 -69.56 -68.53 -66.94 -69.47 -66.92 -66.44 -67.43 -68.01 -67.85 -64.91 -67.23 -65.17 -66.02 -65.89 -65.67 -65.67 -69.26 -68.87 -67.14 -66.96 failed failed -67.52 -68.83 -68.72 -67.65 -64.01 -67.64 41 Fluorochlorane trioxide -5.39 -0.64 -0.98 -0.42 0.84 -3.89 -13.25 -14.51 -9.95 -0.14 -0.44 -13.60 0.22 -8.08 -4.56 -4.79 4.01 4.04 -2.53 -2.76 -2.09 -1.78 -1.38 -0.78 1.13 -2.45 -2.52 -1.07 25.27 23.55 42 Dinitrogen trioxide 19.80 19.73 19.06 20.47 17.92 17.11 12.88 12.29 14.77 20.38 18.65 15.60 20.46 17.17 19.24 17.92 22.31 22.29 18.84 19.03 18.49 18.17 20.45 20.71 22.06 19.97 19.15 20.09 29.80 19.65 43 Dinitrogen tetroxide 2.19 3.03 0.85 3.24 -1.52 -4.34 -14.25 -15.16 -8.63 -0.39 -2.93 -12.45 -0.40 -8.11 -2.78 -4.71 2.94 2.93 -3.17 -3.21 -2.86 -2.82 1.16 2.01 1.32 -1.75 -2.94 -1.57 10.45 7.16 44 Benzene hexafluoride -228.43 -227.20 -227.78 -226.52 -236.26 -235.40 -236.99 -237.03 -236.41 -235.24 -235.07 -237.24 -234.94 -236.59 -236.00 -235.85 -231.03 -230.99 -233.79 -234.96 -233.16 -234.70 -231.69 -232.43 -234.12 -230.96 -230.89 -230.78 -237.07 -236.24 45 Chloropentafluorobenzene -193.64 -192.92 -192.89 -191.30 -201.72 -198.21 -200.52 -200.59 -199.61 -198.45 -198.56 -201.12 -198.31 -200.40 -199.54 -199.61 -195.51 -195.50 -197.92 -198.82 -197.53 -198.34 -195.91 -196.37 -198.05 -195.15 -195.19 -195.23 -203.54 -201.78 46 Phosgene -52.36 -53.91 -52.99 -52.85 -56.14 -58.42 -54.90 -55.04 -55.27 -56.97 -54.46 -54.91 -56.57 -54.15 -54.43 -52.53 -54.39 -54.37 -54.20 -54.42 -53.12 -52.38 -53.75 -54.55 -55.35 -54.85 -53.56 -54.00 -50.46 -47.86 47 Lithium-sodium (1:1) 43.40 43.91 42.84 41.89 42.56 41.60 39.10 38.55 39.79 42.30 41.67 38.91 41.81 39.66 40.64 40.16 42.27 42.27 43.24 42.83 41.62 41.94 failed failed 42.83 42.74 42.42 42.31 35.76 88.40 48 Beryllium difluoride -190.28 -188.76 -189.50 -189.61 -187.66 -188.51 -186.90 -186.69 -186.47 -188.67 -189.14 -186.89 -188.50 -187.17 -187.06 -187.40 -187.68 -187.67 -186.77 -186.61 -186.52 -187.68 -186.82 -187.40 -187.82 -188.90 -189.17 -188.68 -180.42 -183.54 49 Cyanogen chloride 32.90 30.74 31.27 32.57 30.89 31.82 36.77 36.77 34.61 32.30 34.67 36.38 32.72 36.31 34.57 36.35 32.43 32.43 34.17 34.28 34.94 35.59 34.08 33.27 32.96 31.95 33.13 32.62 32.05 32.95 50 Magnesium chloride -93.80 -96.88 -95.72 -94.51 -99.51 -95.62 -95.11 -95.20 -96.33 -95.96 -95.03 -95.75 -96.00 -95.75 -96.54 -95.84 -95.26 -95.26 -95.37 -95.65 -95.44 -95.07 -95.37 -95.29 -95.94 -94.97 -94.52 -95.08 -89.99 -82.26 51 Bromotrifluoromethane -155.00 -154.87 -155.37 -155.95 -162.95 -157.16 -155.77 -156.01 -155.93 -157.47 -155.73 -157.35 -157.29 -156.93 -156.89 -155.56 -156.45 -156.42 -156.30 -156.62 -155.55 -155.39 -156.05 -156.62 -156.90 -156.64 -155.75 -155.69 -150.20 -154.57 52 Bromotrichloromethane -9.70 -12.60 -11.40 -11.37 -20.71 -11.79 -10.45 -10.54 -9.95 -10.37 -9.57 -9.69 -10.24 -9.23 -8.80 -8.17 -9.59 -9.59 -9.19 -8.67 -9.11 -8.46 -9.45 -9.17 -9.75 -10.26 -9.87 -9.36 -3.54 -9.29 53 Carbonyl dibromide -27.10 -28.32 -28.31 -29.44 -37.51 -32.65 -30.30 -30.21 -30.24 -31.78 -30.54 -30.15 -31.57 -29.65 -29.74 -28.80 -30.73 -30.73 -29.89 -29.96 -29.23 -28.83 -29.88 -30.38 -30.68 -30.20 -29.55 -29.84 -25.72 -27.45 54 Trifluoroacetonitrile -118.60 -119.05 -119.52 -118.20 -121.79 -114.99 -111.35 -111.29 -113.06 -116.49 -114.97 -112.73 -116.34 -114.00 -115.48 -114.31 -117.80 -117.76 -116.78 -116.65 -116.18 -116.74 -117.30 -118.09 -116.98 -118.11 -117.41 -117.52 -120.87 -118.37 55 Oxygen 0.00 1.36 0.22 1.05 -0.82 -2.87 -0.65 -1.40 -3.59 -4.42 -4.28 -1.57 -4.55 -5.13 -6.87 -6.77 -3.96 -3.94 -6.10 -5.77 -5.96 -6.96 -3.13 -3.89 -4.44 -2.42 -2.38 -2.75 -17.44 -9.17 56 Disulfur 30.70 29.78 31.14 30.99 29.04 25.29 28.29 28.30 26.80 25.16 26.62 28.36 25.10 27.01 25.77 26.84 27.46 27.42 27.58 27.57 28.53 29.60 30.58 30.49 25.59 27.46 28.17 27.04 33.86 30.22 57 Sulfur monoxide 1.20 2.04 1.40 2.13 0.05 -2.51 1.37 1.46 -0.93 -3.00 -1.91 1.36 -3.08 -0.59 -2.48 -1.68 -0.64 -0.65 -1.51 -1.37 -1.11 -0.13 0.79 0.36 -3.67 -1.52 -0.97 -1.87 -7.68 -1.12 58 1,1,1,2-tetrachlorodifluoroethane -124.21 -130.80 -129.94 -128.46 -139.53 -124.58 -125.60 -125.73 -124.50 -124.93 -125.46 -125.39 -125.22 -125.98 -125.02 -125.39 -127.93 -127.90 -127.00 -126.09 -127.60 -125.93 -127.57 -126.62 -126.06 -126.25 -126.45 -126.45 -133.25 -134.31 59 1,1,1-trichlorotrifluoroethane -180.64 -180.66 -180.31 -179.03 -189.02 -174.46 -175.24 -175.42 -174.39 -175.90 -175.71 -176.38 -176.18 -177.10 -176.31 -176.14 -179.07 -179.03 -177.66 -176.99 -177.98 -176.87 -177.99 -177.32 -177.03 -177.18 -177.03 -177.33 -182.83 -181.04 60 1,1,2,2-tetrachlorodifluoroethane -122.20 -127.13 -126.35 -125.03 -136.20 -122.71 -123.44 -123.57 -122.34 -122.46 -122.85 -122.76 -122.70 -123.11 -122.17 -122.44 -124.64 -124.61 -124.26 -123.35 -124.79 -122.80 -124.66 -123.74 -123.38 -123.26 -123.38 -123.40 -129.77 -132.55 61 1,1,2,3,4,4-hexachlorbuta-1,3-diene -7.80 -6.42 -3.06 0.25 -11.97 0.20 -0.63 -0.77 0.88 2.32 0.01 0.97 2.32 2.14 3.37 1.57 1.51 1.47 1.55 1.39 1.60 3.02 2.33 2.20 2.50 1.76 0.62 1.40 -8.53 -12.15 62 1,1-dichloro-2,2-difluoroethene -80.31 -85.70 -84.77 -84.53 -90.01 -90.78 -88.04 -88.31 -88.47 -88.99 -86.55 -88.13 -88.52 -86.87 -87.03 -85.17 -85.95 -85.90 -86.26 -86.49 -84.80 -84.57 -84.88 -85.80 -87.40 -86.08 -84.85 -84.91 -92.64 -89.61 63 1,1-dichlorotetrafluoroethane -221.51 -223.67 -223.88 -222.94 -232.11 -220.63 -220.73 -220.95 -220.15 -221.99 -220.98 -222.27 -222.16 -222.68 -222.11 -221.33 -223.71 -223.66 -222.96 -222.61 -222.86 -221.85 -222.80 -222.47 -222.68 -222.32 -221.78 -222.31 -225.55 -224.41 64 1,2-dichloro-1,1,2,2-tetrafluoroethane -221.45 -220.32 -220.51 -219.67 -229.09 -218.91 -218.77 -218.99 -218.20 -219.71 -218.57 -219.90 -219.85 -220.08 -219.53 -218.65 -220.63 -220.58 -220.54 -220.19 -220.35 -219.06 -220.19 -219.90 -220.27 -219.54 -218.92 -219.48 -224.11 -223.26 65 Aluminium tribromide -98.10 -99.77 -99.93 -101.85 -115.08 -97.75 -100.05 -100.30 -99.16 -100.42 -99.66 -102.52 -100.70 -103.14 -102.37 -101.82 -102.78 -102.79 -102.46 -102.68 -102.95 -103.52 -102.28 -102.16 -102.05 -100.18 -99.78 -100.85 -100.25 -97.29 66 Aluminium Trifluoride -289.01 -290.32 -289.78 -289.93 -292.54 -290.26 -283.99 -283.48 -282.75 -287.79 -286.54 -283.26 -287.17 -281.76 -281.38 -280.40 -283.57 -283.52 -284.20 -283.33 -281.64 -278.87 -282.52 -283.94 -285.40 -288.83 -288.00 -287.30 -293.44 -301.66 67 Arsenic trichloride -62.62 -63.46 -61.80 -61.87 -67.02 -64.86 -64.12 -63.81 -64.18 -64.83 -64.78 -63.51 -64.79 -63.93 -64.15 -64.13 -65.17 -65.19 -63.45 -63.61 -62.84 -64.71 -63.33 -63.46 -63.76 -63.77 -63.82 -64.12 -69.45 -48.97 68 Beryllium chloride -86.10 -85.78 -86.47 -85.66 -87.70 -86.09 -86.36 -86.57 -87.96 -88.22 -86.83 -88.55 -88.36 -89.11 -90.11 -89.07 -88.01 -88.03 -88.78 -89.01 -88.82 -88.09 -87.47 -87.66 -89.03 -86.61 -85.89 -87.06 -89.75 -63.01 69 Beryllium oxide 32.60 31.97 32.78 31.55 33.87 30.82 29.48 29.48 30.66 33.11 32.19 31.66 33.08 32.50 33.38 32.69 31.92 31.92 31.77 31.84 31.56 31.99 30.51 31.27 33.07 31.73 31.28 31.96 8.51 16.20 70 Boron tribromide -49.00 -48.29 -49.08 -50.23 -60.42 -45.45 -50.83 -50.92 -48.15 -48.20 -49.16 -52.90 -48.60 -53.03 -51.01 -51.76 -50.90 -50.95 -52.45 -52.05 -52.47 -52.43 -51.10 -50.54 -50.46 -49.91 -50.43 -50.90 -49.77 -53.71 71 Boron trichloride -96.31 -95.50 -95.43 -95.33 -99.88 -97.36 -98.58 -98.64 -97.12 -98.09 -96.87 -99.85 -98.13 -99.23 -98.13 -97.23 -96.27 -96.28 -98.55 -98.42 -97.64 -96.70 -96.91 -97.07 -98.58 -98.05 -97.39 -98.08 -92.10 -93.45 72 Bromine 7.39 8.16 8.30 6.67 0.91 1.64 5.92 5.99 4.67 2.39 4.79 5.82 2.73 6.03 5.02 6.79 5.47 5.45 6.22 5.82 7.21 7.43 6.38 5.58 3.88 5.50 6.74 6.03 2.50 8.47 73 Bromine chloride 3.50 3.16 4.00 3.22 -1.07 -3.57 1.67 1.67 0.04 -1.81 1.04 2.10 -1.33 2.68 1.42 3.54 2.39 2.37 3.17 2.48 4.25 5.04 3.14 2.22 0.34 1.53 3.00 2.38 4.78 9.36 74 Bromine fluoride -13.97 -13.97 -14.50 -14.46 -18.70 -22.39 -16.58 -16.69 -18.50 -18.86 -16.92 -14.33 -18.19 -13.67 -15.09 -13.65 -12.89 -12.90 -14.93 -15.13 -13.69 -13.13 -14.46 -15.76 -16.48 -16.30 -15.28 -14.95 -25.94 -24.18 75 Bromine pentafluoride -102.47 -104.97 -108.55 -105.30 -98.28 -140.60 -138.40 -138.80 -137.08 -120.47 -120.37 -123.52 -118.81 -114.67 -113.43 -113.36 -99.76 -99.74 -107.91 -108.47 -106.07 -106.98 -108.18 -108.14 -109.90 -117.59 -117.53 -112.79 -78.80 -91.70 76 Bromochlorodifluoromethane -103.10 -104.35 -104.39 -104.97 -112.78 -107.87 -106.13 -106.32 -106.04 -107.03 -105.12 -106.62 -106.83 -105.83 -105.65 -104.20 -105.10 -105.08 -105.43 -105.47 -104.81 -103.97 -105.17 -105.47 -106.26 -105.69 -104.71 -104.72 -100.62 -107.14 77 Bromotrifluoroethylene -108.75 -108.65 -108.86 -109.12 -116.31 -115.14 -112.70 -112.87 -113.09 -113.50 -111.63 -112.60 -113.03 -111.54 -111.73 -110.31 -110.64 -110.60 -111.25 -111.67 -109.85 -110.26 -110.03 -111.02 -112.06 -110.51 -109.59 -109.46 -115.38 -115.22 78 Calcium bromide -92.00 -90.89 -90.65 -93.25 -97.31 -84.21 -84.86 -84.91 -87.44 -89.29 -88.37 -88.18 -89.72 -91.06 -92.95 -92.30 -94.44 -94.47 -91.99 -91.91 -92.79 -95.03 -91.75 -91.80 -91.87 -89.42 -89.06 -90.49 -85.52 -67.79 79 Calcium chloride -112.69 -114.99 -112.66 -115.50 -114.92 -110.44 -108.41 -108.44 -111.75 -113.10 -111.29 -110.29 -113.13 -112.28 -114.71 -113.37 -114.01 -114.02 -114.02 -114.06 -113.44 -113.76 -112.60 -112.93 -113.96 -112.52 -111.68 -112.78 -103.92 -85.38 80 Calcium fluoride -187.50 -187.66 -186.32 -191.87 -172.62 -189.08 -186.51 -186.52 -186.66 -186.80 -186.82 -184.32 -186.22 -184.21 -184.43 -184.42 -182.78 -182.77 -186.83 -186.04 -185.27 -183.59 -184.43 -185.34 -185.88 -186.85 -186.76 -185.82 -156.15 -168.67 81 Calcium oxide 10.49 4.54 8.49 2.50 2.06 -3.26 -4.80 -4.90 -2.73 3.16 2.47 -1.37 3.68 3.29 4.95 4.45 9.60 9.61 6.73 5.98 5.70 8.21 5.60 5.80 5.91 3.09 2.87 4.39 26.09 31.59 82 Calcium sulfide 29.54 26.64 29.71 28.01 32.62 26.54 23.90 23.55 25.10 28.76 27.70 24.68 28.58 26.45 27.63 26.83 30.67 30.65 31.57 30.34 30.57 27.27 30.12 30.67 31.41 30.79 30.15 30.62 35.02 6.87 83 Chlorine fluoride -12.61 -13.22 -13.42 -13.59 -13.58 -22.45 -16.14 -16.34 -18.29 -18.12 -15.88 -13.31 -17.32 -12.60 -14.14 -12.46 -12.38 -12.38 -12.16 -12.93 -11.59 -11.45 -12.75 -14.05 -14.85 -15.10 -13.99 -13.46 -16.74 -20.13 84 Chloropentafluoroethane -267.90 -270.33 -270.97 -270.14 -278.46 -268.20 -268.00 -268.26 -267.75 -270.04 -268.71 -270.27 -270.15 -270.71 -270.38 -269.37 -271.31 -271.25 -270.68 -270.65 -270.26 -269.85 -270.22 -270.24 -270.50 -270.19 -269.52 -270.05 -270.04 -268.20 85 Chlorotrifluoroethene -120.79 -121.57 -121.24 -121.19 -126.08 -128.96 -125.69 -125.96 -126.26 -126.75 -124.25 -125.45 -126.16 -124.16 -124.43 -122.53 -122.68 -122.63 -123.27 -123.85 -121.66 -121.99 -121.89 -123.06 -124.60 -123.19 -121.98 -121.83 -130.41 -127.73 86 Dialuminium hexachloride -309.70 -315.44 -314.99 -312.44 -329.68 -303.65 -307.40 -307.11 -309.39 -306.98 -310.12 -308.03 -307.54 -310.18 -311.73 -314.13 -311.38 -311.42 -310.47 -310.69 -312.14 -315.16 -311.59 -311.06 -309.37 -308.95 -310.68 -310.66 -309.64 -322.84 87 Dibromodifluoromethane -92.40 -90.40 -90.96 -92.07 -102.30 -93.82 -92.78 -92.86 -92.43 -93.25 -92.01 -93.18 -93.14 -92.49 -92.18 -91.24 -92.05 -92.04 -92.33 -92.27 -91.96 -91.25 -92.26 -92.36 -92.88 -92.17 -91.53 -91.49 -84.34 -94.89 88 Dichlorodifluoromethane -115.80 -118.38 -117.93 -117.96 -123.51 -121.91 -119.47 -119.77 -119.65 -120.81 -118.25 -120.03 -120.52 -119.19 -119.15 -117.21 -118.18 -118.15 -118.55 -118.70 -117.69 -116.76 -118.11 -118.60 -119.65 -119.24 -117.94 -118.01 -121.86 -120.14 89 Disulfur monoxide -13.50 -13.90 -11.72 -12.70 -13.47 -14.27 -13.70 -13.55 -13.11 -11.97 -11.48 -12.50 -11.72 -10.51 -10.15 -9.81 -10.10 -10.13 -8.82 -9.43 -8.89 -8.40 -10.04 -9.87 -10.08 -13.53 -13.30 -13.15 -7.16 -12.06 90 (E)-difluorodiazene 19.40 18.22 18.14 18.47 16.61 15.02 14.91 14.42 14.00 17.50 17.31 17.03 17.80 17.09 16.77 16.62 20.23 20.21 17.33 17.21 17.14 16.34 17.81 17.45 18.57 20.04 19.91 20.67 35.74 33.58 91 Gallium trichloride -107.00 -106.82 -105.84 -99.18 -117.30 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -107.00 -104.08 -91.17 92 Germanium oxide -11.04 -9.97 -7.89 -8.95 -13.61 -11.51 -9.62 -9.58 -6.79 -8.31 -8.17 -7.34 -8.18 -5.78 -3.64 -3.53 -2.73 -2.73 -7.72 -7.31 -7.36 -5.36 -9.13 -9.40 -8.03 -8.53 -8.36 -7.94 -6.69 10.82 93 Germanium sulfide 21.99 22.79 24.88 25.22 20.25 23.03 22.92 22.80 26.39 24.18 24.50 23.69 24.07 24.29 27.01 27.23 29.03 29.00 25.31 24.97 26.29 26.41 24.58 24.73 25.54 27.28 27.44 27.03 36.04 56.78 94 Germanium tetrachloride -122.00 -122.06 -121.05 -115.38 -135.33 -117.27 -119.31 -119.09 -121.41 -121.36 -121.57 -121.85 -121.65 -123.89 -125.56 -125.75 -127.26 -127.28 -123.09 -123.61 -123.40 -126.44 -122.37 -121.89 -122.63 -121.45 -121.73 -122.82 -120.61 -111.82 95 Germanium tetrafluoride -284.46 -289.75 -289.78 -273.91 -294.46 -282.65 -281.24 -280.96 -284.46 -284.60 -284.89 -282.69 -284.38 -283.80 -286.45 -286.66 -295.60 -295.58 -285.45 -284.74 -285.79 -286.40 -284.07 -284.93 -284.99 -288.93 -289.06 -288.80 -283.74 -284.85 96 Hexachlorobenzene -8.49 -14.62 -11.45 -7.33 -21.06 -0.57 -8.00 -8.15 -5.87 -2.16 -6.51 -8.23 -2.66 -8.36 -6.41 -9.73 -6.86 -6.98 -7.62 -7.32 -8.72 -7.91 -6.45 -5.53 -4.86 -6.03 -8.13 -6.82 -10.02 -16.81 97 Hexachloroethane -33.75 -40.83 -38.89 -36.21 -49.15 -27.95 -30.62 -30.64 -29.22 -27.72 -31.21 -28.49 -28.12 -29.86 -28.69 -31.27 -33.29 -33.28 -31.41 -30.09 -33.04 -31.82 -33.25 -31.71 -29.25 -31.43 -33.14 -31.75 -33.12 -40.44 98 Hexafluoro-1,3-butadiene -225.14 -231.41 -232.02 -231.21 -239.14 -241.33 -238.97 -239.09 -238.81 -238.79 -237.42 -237.91 -238.26 -236.59 -236.43 -235.39 -234.27 -234.24 -235.37 -236.31 -233.63 -235.15 -233.81 -235.18 -236.34 -234.09 -233.48 -233.35 -246.30 -242.73 99 Hexafluoroacetone -348.95 -337.84 -339.17 -337.63 -346.23 -331.76 -332.04 -332.14 -331.61 -335.84 -335.55 -335.05 -336.23 -337.17 -336.88 -336.65 -339.71 -339.66 -339.57 -339.29 -339.36 -339.97 -339.18 -339.37 -337.91 -336.66 -336.54 -337.50 -336.13 -337.11 100 Lithium bromide -36.80 -34.21 -34.86 -35.86 -38.34 -34.52 -32.80 -32.50 -34.43 -36.47 -35.28 -34.09 -36.21 -34.96 -36.44 -35.57 -37.07 -37.08 -36.78 -36.62 -36.11 -36.27 failed failed -37.37 -36.11 -35.49 -36.18 -38.14 -35.34 101 Magnesium bromide -72.40 -72.63 -72.80 -72.64 -80.86 -69.31 -71.58 -71.75 -71.86 -71.84 -71.88 -73.46 -72.25 -74.28 -74.33 -74.39 -75.20 -75.22 -72.96 -73.15 -74.38 -75.43 -74.00 -73.69 -73.45 -71.53 -71.57 -72.36 -68.85 -50.47 102 Magnesium fluoride -173.70 -175.36 -175.23 -174.38 -176.88 -174.97 -173.21 -172.96 -171.71 -172.11 -173.00 -170.68 -171.65 -169.88 -169.03 -169.67 -169.44 -169.42 -171.57 -171.10 -170.08 -169.40 -170.53 -170.93 -170.52 -173.40 -173.81 -172.46 -137.14 -139.49 103 Nitrosyl bromide 19.63 20.68 20.85 20.10 15.58 12.43 15.14 15.00 14.35 17.26 17.96 18.66 17.74 20.17 19.55 20.06 22.45 22.43 23.40 22.51 23.28 23.87 22.52 21.90 21.83 19.23 19.65 20.13 -0.09 25.70 104 Nitryl fluoride -26.00 -27.32 -28.90 -27.15 -30.68 -35.34 -39.08 -39.98 -36.43 -31.61 -32.05 -37.49 -31.22 -34.94 -32.19 -32.52 -27.31 -27.30 -32.49 -32.68 -31.87 -32.51 -29.76 -29.88 -29.78 -30.72 -30.95 -29.68 -28.49 -21.38 105 Octafluoro-2-butene -393.88 -381.55 -382.83 -381.34 -391.72 -380.28 -380.60 -380.75 -379.94 -382.34 -381.61 -382.70 -382.55 -383.25 -382.73 -382.18 -383.15 -383.15 -383.47 -383.51 -382.84 -383.50 -382.56 -382.80 -383.07 -381.57 -381.27 -381.90 -387.57 -383.98 106 Octafluorocyclobutane -366.95 -371.20 -372.80 -370.40 -383.36 -365.24 -369.99 -370.43 -368.55 -368.96 -369.23 -373.19 -369.37 -374.38 -373.01 -373.20 -372.04 -371.98 -374.96 -375.24 -376.12 -375.73 -373.62 -372.57 -371.78 -369.27 -369.41 -370.77 -380.27 -375.35 107 Octafluoropropane -426.38 -418.46 -420.12 -418.18 -429.45 -410.95 -412.81 -413.01 -412.02 -415.49 -415.40 -416.62 -416.03 -418.23 -417.54 -417.47 -420.18 -420.13 -418.78 -418.70 -419.01 -419.03 -418.51 -417.99 -417.54 -417.25 -417.23 -418.48 -412.38 -410.27 108 Pentachlorofluoroethane -77.70 -84.04 -82.65 -80.75 -92.78 -75.66 -77.30 -77.37 -76.01 -75.43 -77.18 -75.96 -75.76 -76.78 -75.69 -76.98 -79.19 -79.17 -78.10 -76.97 -79.14 -77.43 -79.18 -77.94 -76.66 -77.56 -78.38 -77.80 -82.78 -87.26 109 Pentafluorophosphorane -380.60 -379.79 -378.77 -378.06 -379.90 -369.75 -366.90 -365.43 -370.96 -375.19 -375.01 -371.23 -375.38 -371.86 -375.82 -375.67 -377.08 -377.05 -373.36 -373.63 -373.37 -372.90 -375.70 -376.43 -377.92 -379.02 -378.88 -379.36 -379.61 -370.75 110 Perfluoroperoxide 4.59 10.00 8.43 10.10 5.23 -14.11 -10.67 -11.70 -11.57 1.96 2.09 2.88 3.32 6.41 6.12 6.22 17.36 17.39 9.53 8.88 8.74 7.24 9.01 8.19 9.58 8.73 8.74 12.02 -4.98 3.61 111 Phosphorus nitride 40.99 42.10 42.11 43.43 43.19 43.10 49.76 50.32 49.64 45.51 46.89 51.36 45.76 52.17 51.61 52.64 47.80 47.78 48.78 48.04 48.09 51.08 45.14 44.83 45.65 42.89 43.66 43.51 56.09 60.96 112 Phosphorus (V) oxyfluoride -299.79 -301.07 -300.65 -299.79 -302.31 -291.51 -288.49 -287.15 -291.37 -297.66 -297.33 -293.28 -297.85 -294.63 -297.65 -297.39 -299.72 -299.69 -297.92 -298.14 -297.87 -297.15 -299.18 -300.07 -300.95 -300.71 -300.47 -301.60 -286.86 -293.27 113 Phosphorus (V) sulfide trifluoride -241.17 -239.44 -237.72 -237.19 -239.90 -232.35 -231.11 -230.22 -233.23 -236.57 -236.50 -234.38 -236.73 -235.07 -237.25 -237.20 -237.27 -237.27 -237.83 -237.67 -237.67 -237.50 -237.79 -238.30 -239.17 -238.62 -238.57 -239.42 -248.75 -235.94 114 Potassium bromide -43.04 -41.99 -42.44 -44.38 -45.79 -41.39 -42.31 -42.30 -42.77 -43.16 -43.04 -43.59 -43.41 -44.30 -44.64 -44.56 -45.47 -45.48 -44.09 -44.18 -44.61 -45.11 failed failed -44.09 -43.25 -43.22 -43.79 -44.34 -36.80 115 Potassium chloride -51.31 -50.81 -50.30 -52.37 -43.80 -51.65 -51.24 -51.25 -52.00 -52.09 -51.60 -51.73 -52.13 -51.92 -52.46 -52.09 -52.12 -52.12 -52.00 -52.18 -51.88 -51.86 failed failed -52.10 -51.80 -51.58 -51.89 -53.35 -43.33 116 Potassium fluoride -78.10 -75.36 -75.85 -80.17 -75.30 -79.41 -78.90 -78.90 -77.67 -77.20 -77.81 -77.13 -76.92 -76.23 -75.35 -75.79 -74.85 -74.84 -76.35 -76.09 -75.96 -75.48 failed failed -76.26 -77.40 -77.65 -76.77 -74.86 -72.47 117 Selenium hexafluoride -266.97 -273.07 -276.13 -261.96 -265.16 -269.08 -271.34 -271.32 -273.75 -267.77 -269.07 -269.68 -267.69 -269.33 -271.03 -272.01 -272.60 -272.59 -268.91 -268.41 -269.50 -270.65 -269.12 -268.50 -267.30 -271.58 -272.25 -271.13 -256.56 -246.45 118 Silicon monosulfide 25.33 24.40 26.97 27.41 25.11 26.98 27.91 27.57 31.97 28.28 29.33 28.12 28.23 28.87 32.06 32.84 27.10 27.09 29.00 28.85 28.28 29.56 25.90 26.12 28.92 28.69 29.24 28.70 61.31 63.76 119 Sodium bromide -34.40 -34.49 -35.11 -34.95 -37.97 -32.34 -31.60 -31.11 -33.78 -34.49 -33.52 -32.60 -34.23 -33.90 -35.92 -35.21 -35.98 -35.99 -36.84 -37.00 -35.77 -36.24 failed failed -35.66 -34.53 -34.04 -34.53 -37.58 -36.41 120 Sulfur dichloride -4.20 -5.84 -3.36 -3.98 -6.80 -11.97 -7.86 -7.75 -8.93 -9.87 -7.55 -6.64 -9.47 -6.01 -6.96 -5.24 -6.35 -6.38 -4.48 -5.29 -3.83 -3.35 -5.10 -5.63 -7.44 -6.09 -4.94 -5.60 -1.89 -1.61 121 Sulfur difluoride -70.90 -70.36 -70.20 -70.35 -68.80 -77.26 -72.18 -72.03 -74.10 -74.22 -72.98 -69.72 -73.66 -69.25 -70.89 -69.96 -70.42 -70.42 -70.70 -70.86 -70.51 -70.49 -71.75 -72.73 -72.91 -71.97 -71.38 -71.00 -74.06 -68.88 122 Sulfur hexafluoride -291.70 -291.60 -291.34 -290.24 -289.48 -282.08 -288.47 -288.33 -290.27 -284.60 -285.74 -291.51 -284.91 -289.65 -290.82 -291.68 -287.30 -287.28 -286.23 -286.31 -286.92 -287.03 -289.34 -288.31 -286.91 -289.50 -290.05 -288.86 -302.03 -291.38 123 Sulfur tetrafluoride -182.40 -183.98 -183.38 -184.05 -180.14 -193.25 -191.88 -191.74 -192.07 -187.65 -187.29 -188.02 -187.10 -184.84 -185.15 -184.88 -181.44 -181.43 -183.12 -183.20 -182.73 -183.30 -185.70 -186.17 -185.67 -186.94 -186.79 -185.16 -190.91 -180.09 124 Tetrachloroethylene -3.76 -8.60 -6.13 -5.38 -12.01 -9.19 -7.38 -7.65 -7.50 -7.12 -5.44 -6.89 -6.79 -5.58 -5.49 -4.21 -5.21 -5.19 -5.11 -4.76 -4.07 -3.04 -3.83 -4.32 -5.94 -5.66 -4.78 -4.62 -8.13 -6.46 125 Tetrachlorosilane -158.34 -160.47 -157.94 -157.45 -166.48 -151.70 -153.10 -152.80 -153.45 -156.01 -156.06 -156.47 -156.19 -157.67 -158.23 -158.27 -158.16 -158.16 -159.28 -159.15 -159.19 -161.46 -159.04 -159.44 -158.06 -157.99 -158.10 -159.11 -150.10 -140.96 126 Tetrafluorohydrazine -2.00 -5.47 -6.51 -4.77 -10.43 -14.15 -16.40 -17.22 -16.07 -8.42 -9.25 -11.06 -8.24 -10.43 -9.49 -10.11 -4.64 -4.65 -8.25 -8.18 -9.47 -9.90 -8.21 -7.79 -6.52 -3.81 -4.25 -2.93 -8.52 -8.30 127 Trichloroacetyl chloride -57.31 -60.11 -58.79 -57.39 -65.64 -56.22 -55.69 -55.69 -54.79 -55.84 -56.15 -54.79 -55.93 -55.37 -54.75 -54.97 -57.52 -57.49 -56.96 -56.27 -56.99 -56.00 -57.26 -57.10 -56.16 -56.21 -56.31 -56.23 -57.36 -59.22 128 Trichlorofluoromethane -66.55 -70.18 -69.13 -68.98 -75.40 -73.14 -70.64 -70.89 -70.58 -71.34 -68.98 -70.37 -71.06 -69.42 -69.24 -67.44 -68.65 -68.63 -68.95 -68.83 -68.29 -67.04 -68.66 -68.90 -70.13 -69.85 -68.63 -68.62 -71.77 -70.89 129 (Z)-difluorodiazene 16.40 17.15 16.93 17.20 15.50 11.78 11.63 11.13 10.84 15.64 15.38 14.73 16.02 15.54 15.26 15.07 19.59 19.56 16.33 16.16 16.13 15.38 16.85 16.53 17.43 18.08 17.93 18.95 26.85 23.18 130 Cyanogen 73.49 72.76 72.69 74.86 74.63 76.95 83.96 84.53 80.67 76.82 78.40 84.51 77.13 83.15 80.09 81.28 75.85 75.85 78.67 79.21 78.94 79.01 76.98 76.26 77.04 74.15 74.90 74.48 74.16 71.49 131 2-Butynedinitirile 126.48 126.56 126.42 130.06 128.94 124.21 134.22 135.01 130.25 127.19 129.99 136.93 127.83 137.02 133.20 135.32 129.52 129.53 133.84 134.46 134.92 135.14 132.29 131.20 130.08 125.27 126.60 126.39 128.17 126.60 132 Pentafluoromethylamine -169.10 -167.95 -169.06 -167.79 -174.12 -168.97 -170.09 -170.54 -170.12 -168.77 -168.57 -169.93 -168.82 -170.47 -170.11 -169.95 -168.62 -168.59 -169.33 -169.41 -169.60 -170.07 -169.33 -169.25 -168.56 -167.19 -167.13 -166.80 -162.10 -159.98 133 Pentafluoroguanidine 22.87 21.13 19.30 22.14 14.18 12.85 8.84 8.46 9.80 18.06 15.84 15.31 17.90 15.37 16.44 14.74 21.21 21.15 16.65 16.94 14.84 14.65 16.45 17.33 18.62 23.73 22.64 23.42 15.70 18.82 134 Hexadecafluoroheptane -808.70 -809.50 failed -806.56 -834.89 -782.69 -792.80 -792.57 -788.47 -794.24 -799.40 -798.47 -796.75 -803.71 -800.58 -804.61 -812.11 -812.46 -808.56 -807.12 -813.20 -810.00 -810.49 -805.76 -803.32 -800.79 -803.31 -808.32 -801.09 -804.42 135 Perfluoro-2-methylpent-2-ene -597.30 -594.72 failed -593.18 -612.20 -579.62 -585.56 -585.53 -582.59 -586.57 -589.34 -589.59 -588.03 -592.32 -590.11 -592.28 -596.48 -596.68 -594.94 -594.25 -596.64 -595.74 -595.70 -593.67 -591.79 -589.91 -591.31 -593.88 -598.91 -596.10 136 Perfluoro-2-methyl-3-isopropylpent-2-ene -897.10 -897.78 failed failed failed -856.24 -871.90 -871.43 -865.43 -870.71 -881.42 -877.33 -874.44 -884.26 -879.49 -887.88 -899.09 -899.89 -891.71 -890.04 -899.09 -894.37 -897.67 -890.62 -883.91 -881.86 -887.17 -893.12 -898.61 -902.33 137 Undecafluoro(trifluoromethyl)cyclohexane -692.40 -690.26 failed -686.64 -714.11 -660.10 -673.86 -673.65 -668.72 -671.98 -679.29 -678.79 -674.60 -684.50 -680.58 -686.24 -692.02 -692.34 -689.53 -688.40 -696.27 -692.22 -692.55 -686.61 -682.97 -679.47 -683.01 -687.92 -688.52 -690.67 138 Undecafluoro(pentafluorethyl)cyclohexane -789.20 -786.39 failed -782.00 -814.13 -750.82 -766.71 -766.37 -760.71 -764.50 -773.44 -771.99 -767.67 -778.69 -774.20 -781.14 -788.22 -788.70 -784.93 -783.48 -793.01 -787.97 -788.80 -781.62 -777.38 -773.38 -777.72 -783.56 -783.97 -788.69 139 Decafluorocyclohexene -461.90 -462.56 -464.80 -460.38 -477.88 -450.81 -457.77 -457.68 -454.88 -456.27 -459.35 -460.13 -457.33 -462.70 -460.58 -462.95 -463.58 -463.66 -464.91 -464.68 -467.73 -466.72 -464.96 -462.67 -461.49 -458.00 -459.50 -461.67 -466.13 -463.70 140 cis-Perfluorobicyclo[4.4.0]decane -855.10 -866.13 failed failed failed -817.02 -840.31 -839.80 -831.82 -834.52 -848.29 -845.99 -838.71 -854.93 -848.51 -859.19 -866.47 -867.23 -863.40 -861.91 -875.93 -868.51 -869.45 -859.02 -852.49 -846.90 -853.56 -861.22 -867.23 -873.53 141 trans-Perfluorobicyclo[4.4.0]decane -860.20 -868.83 failed failed failed -819.57 -842.54 -842.01 -833.89 -837.13 -850.69 -848.37 -841.27 -857.30 -850.79 -861.31 -868.56 -869.31 -865.80 -864.29 -878.10 -870.82 -871.48 -861.22 -854.88 -849.44 -856.00 -863.85 -868.61 -874.74 142 Perfluorobicyclo[4.4.0]dec-1,6-ene -765.70 -769.31 failed failed -795.70 -729.54 -748.55 -748.13 -741.00 -744.05 -754.59 -754.12 -747.21 -760.98 -755.45 -763.62 -767.02 -767.62 -767.73 -766.61 -776.72 -772.47 -770.83 -763.74 -758.53 -753.42 -758.55 -764.14 -768.10 -767.14 143 cis-Perfluorobicyclo[4.3.0]nonane -767.70 -770.27 failed -764.53 -798.93 -729.34 -749.68 -749.41 -742.06 -744.51 -755.66 -755.49 -747.94 -762.73 -756.90 -765.54 -769.77 -770.33 -769.22 -768.22 -779.67 -773.82 -773.53 -765.09 -759.76 -754.40 -759.80 -766.15 -772.66 -775.95 144 Tetrabromomethane 20.10 25.20 24.66 22.87 4.67 29.36 27.98 28.17 29.11 29.12 27.15 28.71 28.94 28.16 28.94 27.47 26.56 26.53 27.11 28.06 26.34 25.40 26.18 27.41 28.23 27.16 25.94 27.08 23.07 18.30 145 1,1,2-Trichloro-1,2,2-trifluoroethane -171.30 -173.84 -173.57 -172.52 -182.87 -171.33 -171.54 -171.72 -170.65 -171.62 -170.96 -171.88 -171.82 -172.05 -171.26 -170.75 -173.00 -172.96 -172.68 -172.09 -172.83 -171.05 -172.71 -172.11 -172.30 -171.74 -171.34 -171.79 -179.82 -179.22 146 1,1,1,2,2-Pentafluoro-2-bromoethane -254.40 -256.20 -257.36 -257.06 -267.68 -253.93 -254.52 -254.66 -253.96 -256.05 -255.42 -256.70 -256.26 -257.21 -256.72 -256.23 -258.16 -258.11 -257.41 -257.29 -257.29 -256.93 -257.21 -257.02 -256.96 -256.47 -256.14 -256.69 -249.11 -252.19 147 1,2-Dibromo-1,1,2,2-tetrafluoroethane -188.60 -192.07 -193.35 -193.55 -207.44 -190.12 -191.60 -191.61 -190.45 -191.47 -191.94 -192.47 -191.79 -192.87 -191.99 -192.33 -194.15 -194.12 -193.87 -193.35 -194.30 -193.21 -194.08 -193.29 -192.91 -191.97 -192.18 -192.67 -184.50 -193.27 148 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane -156.90 -146.20 -147.06 -147.09 -162.00 -142.24 -144.24 -144.21 -142.86 -143.20 -144.58 -144.23 -143.58 -144.85 -143.80 -144.82 -146.72 -146.70 -146.36 -145.49 -147.15 -145.88 -146.91 -145.73 -144.92 -144.39 -145.07 -145.24 -138.79 -150.60 149 1,2-Dichlorohexafluoropropane -322.40 -322.71 -323.70 -321.66 -334.98 -314.70 -317.32 -317.44 -315.75 -317.86 -318.54 -319.23 -318.56 -320.62 -319.34 -319.86 -323.22 -323.19 -322.00 -321.34 -322.93 -321.15 -322.43 -321.10 -320.40 -319.59 -319.86 -321.18 -330.48 -329.42 150 Bromopentafluorobenzene -170.20 -181.35 -181.93 -180.70 -192.84 -185.12 -188.40 -188.38 -187.26 -186.04 -186.96 -189.19 -186.03 -188.76 -187.77 -188.45 -184.59 -184.59 -186.87 -187.64 -186.76 -187.72 -185.13 -185.32 -186.41 -183.62 -184.06 -184.09 -189.37 -188.07 151 Methane -17.83 -17.61 -17.88 -17.95 -17.82 -24.01 -19.22 -19.42 -20.94 -21.17 -19.20 -18.41 -20.54 -17.07 -18.29 -16.77 -16.97 -16.91 -15.91 -16.44 -15.42 -15.69 -16.79 -17.04 -18.26 -19.94 -19.05 -18.09 -12.29 -14.40 152 Ethylene 12.53 12.06 12.41 12.50 13.20 5.46 12.10 12.03 9.60 8.84 11.36 13.60 9.49 14.70 12.75 14.70 13.89 13.97 14.63 14.31 15.22 15.08 13.51 12.98 11.91 11.01 12.20 12.89 15.71 13.86 153 Ethane -20.05 -19.73 -19.98 -20.35 -19.76 -26.60 -22.33 -22.55 -23.87 -23.89 -21.62 -21.56 -23.27 -20.27 -21.32 -19.56 -19.47 -19.38 -19.02 -19.37 -18.28 -18.45 -19.32 -19.68 -21.04 -22.52 -21.47 -20.63 -15.82 -18.20 154 Propyne 44.20 44.11 44.25 45.00 45.63 37.56 45.13 45.08 42.78 41.27 44.53 46.99 42.00 47.97 46.07 48.57 44.66 44.74 46.31 46.43 47.40 47.57 45.42 44.84 43.82 42.63 44.16 44.80 45.36 45.98 155 Allene 45.52 44.51 45.14 46.03 46.39 34.32 41.80 41.75 39.72 39.08 42.21 44.21 39.86 46.02 44.29 46.69 44.94 45.02 46.10 45.78 47.13 47.16 44.85 44.24 42.82 43.13 44.60 45.30 37.52 36.85 156 Cyclopropene 66.21 67.58 67.90 68.45 69.19 62.20 65.15 64.42 62.51 65.20 68.28 65.53 65.91 67.06 65.46 67.82 65.17 65.26 66.25 66.87 67.35 67.83 67.12 66.97 67.00 67.12 68.58 68.98 60.92 63.20 157 Propene 4.81 4.50 4.80 4.86 5.85 -2.45 3.15 3.05 1.43 0.85 3.30 4.60 1.44 5.87 4.54 6.44 5.88 5.97 6.12 5.97 7.05 6.83 5.58 5.00 3.79 3.00 4.16 4.83 5.62 4.19 158 Cyclopropane 12.73 13.09 12.95 13.03 14.09 9.05 9.73 9.02 7.88 10.51 13.12 9.08 11.04 10.30 9.38 11.40 10.44 10.55 10.63 11.18 11.67 12.22 12.13 12.23 11.60 11.62 12.87 13.18 11.25 12.02 159 Propane -25.01 -24.65 -24.86 -25.35 -24.41 -30.76 -27.39 -27.60 -28.32 -28.26 -26.30 -26.58 -27.76 -25.36 -25.94 -24.42 -24.32 -24.21 -24.27 -24.47 -23.43 -23.59 -24.27 -24.69 -25.76 -27.25 -26.32 -25.70 -20.97 -23.09 160 1,3-Butadiene 26.23 25.72 26.52 27.21 28.27 17.72 24.85 24.91 22.63 22.00 24.55 27.24 22.62 28.73 26.87 28.84 28.59 28.67 29.14 29.04 30.15 29.82 28.24 27.42 25.93 25.08 26.29 26.87 28.46 27.17 161 But-2-yne 34.81 35.30 35.34 36.11 36.64 27.31 33.87 33.74 31.91 31.00 34.54 35.54 31.75 36.80 35.30 38.01 34.88 34.95 36.04 36.24 37.55 37.75 36.03 35.51 33.76 32.72 34.37 35.17 35.13 35.31 162 Methylidenecyclopropane 47.91 45.78 46.00 46.90 47.53 39.42 41.41 40.76 39.58 42.18 45.02 41.66 42.81 43.46 42.44 44.62 43.78 43.88 43.63 44.08 44.82 45.31 44.90 44.87 43.98 44.70 46.03 46.50 35.83 38.10 163 Bicyclo[1.1.0]butane 51.89 53.21 53.35 54.25 55.04 52.60 49.34 47.96 46.94 53.45 56.33 47.38 53.90 49.06 48.18 50.40 48.39 48.51 48.93 50.43 50.08 51.45 51.84 52.63 53.24 53.69 55.09 55.01 59.51 65.54 164 Cyclobutene 37.42 38.34 38.83 39.05 40.38 35.67 36.34 35.71 34.62 37.66 40.10 36.33 38.16 37.56 36.60 38.49 39.69 39.80 37.87 37.83 38.35 38.91 38.29 38.47 38.78 38.87 40.06 40.30 33.76 37.19 165 Cyclobutane 6.80 6.80 6.78 6.58 7.89 4.96 3.92 3.33 3.12 6.03 7.71 3.52 6.40 4.37 4.20 5.51 7.19 7.31 5.02 4.98 5.28 5.78 5.86 6.09 6.51 6.34 7.18 7.25 -3.51 -2.27 166 2-Methylprop-1-ene -4.04 -4.23 -4.00 -3.79 -2.64 -9.95 -5.69 -5.79 -6.50 -6.93 -5.20 -4.18 -6.47 -2.95 -3.57 -2.24 -2.76 -2.67 -2.75 -2.79 -1.78 -2.13 -3.10 -3.65 -4.43 -5.35 -4.53 -3.99 -5.05 -5.65 167 Butane -30.03 -29.71 -29.91 -30.44 -29.17 -34.80 -32.37 -32.57 -32.70 -32.53 -31.00 -31.50 -32.14 -30.39 -30.50 -29.32 -29.21 -29.13 -29.50 -29.60 -28.63 -28.75 -29.28 -29.72 -30.40 -31.93 -31.19 -30.78 -26.04 -28.21 168 2-Methylpropane -32.14 -31.72 -31.89 -32.25 -31.10 -35.55 -33.50 -33.67 -33.52 -33.39 -32.43 -32.51 -33.09 -31.49 -31.39 -30.64 -30.84 -30.75 -30.89 -30.95 -30.18 -30.37 -30.98 -31.34 -31.55 -33.30 -32.82 -32.54 -27.51 -28.95 169 Spiro[2.2]pentane 44.29 44.22 43.86 44.82 45.75 42.30 38.53 37.31 37.07 42.86 45.23 36.56 43.29 38.25 38.01 39.83 39.01 39.11 38.23 39.34 39.30 40.68 41.60 42.48 42.37 43.59 44.71 44.65 33.21 38.48 170 Benzene 19.77 18.87 19.97 20.98 21.16 15.06 16.99 17.03 15.92 16.31 17.43 17.36 16.57 18.19 17.40 18.30 20.55 20.65 19.52 19.27 19.63 19.18 19.10 18.77 17.79 17.51 18.08 18.75 24.19 22.96 171 Buta-1,2-diene 38.79 38.16 38.70 39.61 40.17 27.92 34.55 34.49 32.89 32.63 35.66 36.97 33.37 38.87 37.50 39.82 38.55 38.63 39.23 39.03 40.46 40.43 38.51 37.88 36.34 36.47 37.89 38.67 30.14 28.98 172 2-Methylbuta-1,3-diene 18.05 17.37 18.16 18.96 20.14 11.45 16.94 17.01 15.65 15.27 16.67 19.52 15.71 20.71 19.57 20.66 20.23 20.30 20.74 20.83 21.79 21.21 19.98 19.15 18.52 17.44 18.12 18.54 19.42 18.58 173 Cyclopentane -18.28 -17.36 -17.39 -17.87 -17.00 -16.25 -19.09 -19.50 -18.35 -16.33 -15.97 -19.66 -16.23 -19.40 -18.46 -18.17 -16.22 -16.12 -18.22 -18.42 -18.90 -18.51 -18.00 -17.73 -16.85 -17.26 -17.04 -16.99 -20.14 -19.98 174 Pentane -35.10 -34.75 -34.95 -35.48 -33.92 -38.76 -37.28 -37.48 -37.01 -36.74 -35.67 -36.35 -36.46 -35.35 -35.00 -34.18 -33.95 -33.91 -34.65 -34.66 -33.79 -33.87 -34.25 -34.71 -34.97 -36.55 -36.02 -35.82 -31.02 -33.29 175 2,2-Dimethylpropane -40.18 -40.07 -40.22 -40.22 -39.13 -40.05 -39.70 -39.82 -38.71 -38.40 -39.11 -38.36 -38.37 -37.79 -36.92 -37.47 -38.24 -38.20 -38.03 -38.00 -37.69 -38.00 -38.56 -38.81 -37.51 -39.82 -40.14 -40.29 -35.02 -35.53 176 Cyclohexa-1,3-diene 25.39 24.93 25.90 26.74 28.20 24.70 24.94 24.85 25.37 25.97 26.41 25.71 26.14 26.26 26.63 26.99 28.18 28.27 26.43 26.48 26.21 26.02 26.28 26.13 26.33 26.75 27.00 27.47 19.30 20.21 177 Cyclohexa-1,4-diene 24.51 25.12 26.10 26.57 28.30 25.02 25.20 25.06 25.67 25.80 26.42 25.57 25.96 25.88 26.29 26.80 27.61 27.69 25.63 25.83 25.53 25.39 25.79 25.65 25.70 26.79 27.12 27.58 18.73 19.98 178 Cyclohexane -29.49 -28.86 -28.89 -28.99 -27.50 -24.68 -29.03 -29.31 -26.91 -25.65 -26.92 -29.46 -25.83 -29.77 -27.86 -28.83 -27.57 -27.53 -29.45 -29.41 -30.22 -29.87 -28.97 -28.73 -27.12 -27.61 -28.15 -28.59 -27.51 -27.43 179 Hexane -39.91 -39.83 -40.04 -40.54 -38.70 -42.74 -42.19 -42.39 -41.34 -40.96 -40.35 -41.20 -40.78 -40.32 -39.50 -39.05 -38.76 -38.76 -39.82 -39.77 -38.97 -39.01 -39.24 -39.72 -39.55 -41.19 -40.87 -40.87 -36.03 -38.35 180 2-Ethylbutane -41.11 -40.69 -40.84 -41.08 -39.44 -41.23 -41.51 -41.66 -40.27 -39.66 -40.45 -40.01 -39.65 -39.57 -38.48 -39.11 -39.18 -39.21 -39.74 -39.69 -39.19 -39.30 -39.66 -40.04 -38.74 -40.79 -41.14 -41.44 -35.68 -37.83 181 Toluene 12.00 11.02 11.98 13.59 13.60 8.59 9.24 9.26 9.06 9.67 9.98 9.67 9.84 10.54 10.46 10.72 13.26 13.31 11.92 11.67 11.96 11.38 11.62 11.35 10.83 10.27 10.44 11.13 14.21 13.20 182 Heptane -44.87 -44.90 -45.13 -45.61 -43.47 -46.72 -47.11 -47.30 -45.66 -45.17 -45.03 -46.06 -45.11 -45.29 -44.01 -43.93 -43.53 -43.58 -44.97 -44.85 -44.16 -44.14 -44.23 -44.72 -44.12 -45.83 -45.72 -45.93 -41.04 -43.46 183 (1Z,3Z,5E,7E)-cycloocta-1,3,5,7-tetraene 70.85 69.55 71.38 73.81 74.88 68.44 71.25 71.47 71.51 71.41 70.64 74.28 71.57 74.77 74.68 74.09 75.11 75.11 73.46 73.83 73.81 73.09 73.10 72.43 72.91 73.20 72.80 73.37 58.40 59.63 184 Octane -49.88 -49.99 -50.23 -50.69 -48.26 -50.69 -52.02 -52.21 -49.99 -49.39 -49.72 -50.91 -49.44 -50.25 -48.52 -48.81 -48.33 -48.43 -50.15 -49.95 -49.36 -49.29 -49.23 -49.74 -48.70 -50.47 -50.58 -50.99 -46.04 -48.56 185 Naphthalene 35.95 32.88 34.65 38.09 37.29 34.79 31.90 32.09 32.67 34.38 32.46 31.81 34.22 32.42 33.01 31.56 37.55 37.55 35.65 35.21 34.52 33.53 35.12 35.11 34.76 33.88 32.98 33.83 40.08 39.72 186 Azulene 69.10 67.88 70.09 74.18 71.99 64.64 62.23 62.26 63.15 67.60 66.20 64.09 67.72 66.62 67.40 66.33 75.04 75.02 74.61 73.37 73.70 73.29 73.80 73.93 72.01 67.68 67.00 68.06 76.20 79.13 187 Methylene 93.70 93.72 93.13 94.17 94.63 89.14 93.31 93.31 86.18 89.98 91.95 96.13 90.32 91.62 86.20 87.71 91.37 91.41 93.98 93.69 95.94 95.80 95.89 95.42 91.88 92.28 93.19 93.21 74.32 78.82 188 1,2,3,4-Tetramethylbenzene -8.25 -10.05 -9.20 -6.65 -7.59 -5.45 -10.08 -10.05 -7.54 -5.28 -9.27 -8.58 -5.61 -8.49 -6.45 -9.55 -6.47 -6.68 -7.74 -8.00 -8.32 -9.40 -8.35 -8.50 -5.84 -7.77 -9.71 -9.41 -9.76 -11.74 189 1,1-Dimethylcyclopentane -33.04 -33.10 -33.20 -32.68 -31.40 -24.95 -30.95 -31.28 -28.31 -25.97 -28.95 -30.94 -26.34 -31.44 -29.06 -31.37 -29.95 -30.00 -31.68 -31.93 -33.30 -32.99 -32.39 -31.83 -28.15 -29.56 -30.93 -31.57 -33.89 -32.76 190 1,1-Dimethylcyclopropane -1.96 -2.31 -2.55 -2.09 -0.97 -2.76 -4.53 -5.19 -4.72 -1.86 -0.97 -5.01 -1.65 -3.93 -3.59 -2.91 -3.74 -3.67 -4.05 -3.42 -3.39 -2.85 -2.69 -2.34 -1.76 -2.33 -1.90 -1.98 -4.00 -1.41 191 1,2,3,4,5,6-Hexamethylbenzene -18.50 -19.90 -18.97 -38.21 -16.57 -8.99 -17.83 -17.72 -13.52 -9.55 -17.14 -15.21 -10.27 -15.99 -12.58 -18.50 -15.22 -15.69 -15.88 -16.27 -17.22 -18.63 -17.19 -17.22 -11.57 -14.72 -18.40 -18.50 -23.20 -25.21 192 1,2,3-Trimethylbenzene -2.27 -3.71 -2.88 -0.59 -0.73 -1.52 -4.36 -4.34 -2.67 -1.06 -3.61 -3.25 -1.23 -2.88 -1.50 -3.48 -0.64 -0.76 -1.95 -2.19 -2.27 -3.21 -2.41 -2.62 -1.05 -2.49 -3.72 -3.30 -2.31 -3.92 193 1,2,3-Trimethylcyclopent-1-ene -9.66 -16.72 -16.57 -15.53 -14.16 -11.31 -16.32 -16.67 -13.70 -11.51 -13.80 -16.17 -11.73 -15.94 -13.65 -15.45 -13.09 -13.21 -15.63 -15.95 -16.65 -16.59 -15.82 -15.42 -12.85 -13.64 -14.75 -14.69 -20.50 -19.83 194 1,2,4-Trimethylbenzene -3.31 -4.72 -3.98 -1.60 -1.77 -3.59 -5.92 -5.93 -4.25 -2.98 -4.94 -5.11 -3.07 -4.43 -3.07 -4.58 -1.62 -1.72 -3.25 -3.53 -3.50 -4.37 -3.54 -3.71 -2.71 -4.01 -4.96 -4.36 -4.06 -5.24 195 1,1,2-Trimethylcyclopentane -36.54 -38.94 -39.02 -37.99 -36.78 -26.70 -34.53 -34.80 -31.05 -28.24 -33.34 -33.92 -28.87 -35.08 -32.08 -36.04 -34.86 -35.03 -36.19 -36.53 -38.37 -38.10 -37.48 -36.84 -31.31 -33.34 -35.73 -36.78 -37.77 -37.03 196 1,1,3-Trimethylcyclopentane -38.84 -40.18 -40.29 -39.43 -38.11 -29.67 -36.89 -37.20 -33.40 -31.01 -35.14 -36.76 -31.56 -37.41 -34.39 -37.61 -36.05 -36.20 -38.03 -38.37 -40.02 -39.65 -39.00 -38.32 -33.75 -35.49 -37.42 -38.26 -40.51 -39.11 197 1,1'-Biphenyl 42.66 39.73 41.74 45.94 44.35 43.26 40.04 40.34 40.90 42.67 39.67 40.50 42.38 40.68 41.29 38.98 44.91 44.79 42.36 41.94 41.20 39.91 41.53 41.31 42.35 41.59 40.16 40.96 47.02 45.60 198 1,2-Dimethylcyclopent-1-ene -9.37 -9.44 -9.24 -8.66 -7.29 -7.08 -10.63 -11.01 -8.92 -6.85 -7.59 -10.74 -6.86 -10.19 -8.59 -9.17 -6.70 -6.73 -9.23 -9.54 -9.89 -9.80 -9.13 -8.84 -7.50 -7.80 -8.15 -7.86 -14.80 -14.14 199 1,1-Diethylcyclopentane -36.66 -41.36 -41.50 -40.50 -38.96 -28.00 -36.96 -37.24 -33.01 -29.81 -35.79 -36.01 -30.56 -37.50 -34.12 -38.81 -37.21 -37.51 -38.98 -39.39 -41.19 -40.72 -40.04 -39.44 -33.19 -35.31 -38.15 -39.45 -39.77 -40.06 200 1,2-Hexadiene 29.25 28.06 28.58 29.61 30.60 20.31 24.97 24.93 24.46 24.56 26.22 27.69 25.08 29.25 28.77 30.01 29.06 29.07 29.10 28.94 30.20 30.16 28.63 27.98 27.58 27.29 28.05 28.60 20.77 19.37 201 1,1-Dimethylallene 30.85 30.21 30.61 31.71 32.42 21.24 26.69 26.63 25.71 25.74 28.01 29.21 26.38 31.05 30.22 31.96 30.94 30.99 31.35 31.19 32.55 32.36 30.81 30.24 29.12 28.89 29.93 30.73 21.51 20.41 202 1,3,5-Hexatriyne 160.13 163.42 163.66 167.03 167.27 146.56 160.81 161.26 156.81 156.16 161.57 167.07 157.48 170.28 166.59 170.71 164.47 164.57 170.24 170.49 172.40 173.01 168.52 167.30 163.67 158.37 160.93 161.79 164.76 167.81 203 1,2,3,4-Tetrahydronaphthalene 6.29 4.21 5.18 7.71 7.59 12.68 5.32 5.25 8.38 10.36 6.82 4.42 9.88 3.97 6.54 3.81 8.20 8.09 4.94 4.64 3.04 2.75 4.83 5.31 7.63 7.60 5.94 6.04 4.24 4.73 204 But-1-ene -0.05 -0.13 0.16 0.23 1.45 -6.19 -1.41 -1.50 -2.66 -3.09 -1.06 0.12 -2.59 1.28 0.32 1.89 1.53 1.61 1.37 1.31 2.28 2.06 1.02 0.41 -0.43 -1.37 -0.40 0.16 1.17 -0.44 205 Buta-1,3-diyne 107.55 109.52 109.79 111.75 112.13 99.47 110.94 111.18 107.51 105.86 110.06 114.95 106.84 116.67 113.64 116.85 111.00 111.07 114.73 114.95 116.11 116.52 112.98 112.07 110.35 107.39 109.38 109.98 110.85 112.71 206 1,3-Cyclopentadiene 31.68 31.34 32.35 32.87 34.24 29.91 30.57 30.22 29.97 31.55 33.39 30.67 31.89 31.85 31.57 33.01 34.36 34.48 32.76 32.57 32.58 32.74 32.16 32.24 32.24 32.50 33.41 34.03 32.08 32.30 207 1,3-Dimethylcyclopent-1-ene -7.10 -7.99 -7.72 -7.00 -5.56 -4.95 -8.12 -8.48 -6.54 -4.78 -5.41 -8.31 -4.81 -7.82 -6.34 -6.83 -4.67 -4.68 -7.23 -7.48 -8.04 -7.87 -7.36 -7.05 -5.55 -5.88 -6.17 -5.92 -11.87 -10.75 208 1,4-Dimethylbenzene 4.30 3.36 4.19 6.26 5.98 2.24 1.63 1.62 2.33 3.18 2.68 2.12 3.26 3.04 3.65 3.27 6.13 6.12 4.49 4.21 4.43 3.73 4.29 4.08 4.03 3.16 2.92 3.65 4.68 3.71 209 1,4-Dimethylcyclopent-1-ene -5.43 -7.90 -7.64 -6.91 -5.44 -4.76 -8.00 -8.37 -6.40 -4.64 -5.30 -8.23 -4.67 -7.74 -6.24 -6.76 -4.61 -4.62 -7.16 -7.43 -7.99 -7.81 -7.29 -6.99 -5.46 -5.71 -6.01 -5.80 -12.13 -10.95 210 1,5,5-Trimethylcyclopent-1-ene -9.66 -16.32 -16.14 -14.55 -13.47 -7.74 -13.01 -13.29 -10.37 -8.26 -11.70 -12.55 -8.61 -12.86 -10.57 -13.26 -11.67 -11.79 -13.62 -13.97 -15.17 -15.17 -14.55 -14.07 -10.21 -11.48 -13.13 -13.28 -17.81 -16.75 211 1,5-Dimethylcyclopent-1-ene -6.96 -7.95 -7.67 -6.92 -5.52 -4.18 -7.63 -7.98 -5.98 -4.14 -5.22 -7.67 -4.22 -7.37 -5.84 -6.68 -4.72 -4.74 -7.06 -7.30 -7.92 -7.80 -7.27 -6.97 -5.08 -5.50 -6.00 -5.84 -11.16 -10.39 212 1-Butylcyclopent-1-ene -14.63 -15.69 -15.47 -14.64 -12.77 -9.46 -14.88 -15.18 -12.24 -9.90 -12.63 -14.43 -10.19 -14.66 -12.37 -14.55 -12.12 -12.33 -15.06 -15.53 -16.16 -15.93 -15.04 -14.83 -11.49 -12.27 -13.58 -13.69 -18.68 -19.10 213 But-1-yne 39.48 39.73 39.87 40.58 41.51 33.85 40.72 40.69 38.72 37.40 40.35 42.64 38.04 43.53 41.92 44.18 40.54 40.63 41.74 42.01 42.86 42.99 41.10 40.48 39.73 38.37 39.76 40.33 41.16 41.67 214 1-Cyclopropylpropane -4.16 -3.78 -3.95 -3.65 -2.04 -3.98 -6.39 -7.06 -6.27 -3.25 -2.58 -6.71 -3.09 -5.87 -5.27 -4.78 -5.45 -5.44 -6.26 -5.57 -5.43 -4.74 -4.41 -4.19 -3.32 -3.78 -3.45 -3.70 -5.25 -4.06 215 [(1E)-prop-1-en-1-yl]benzene 29.01 26.18 27.52 29.87 29.97 23.38 24.28 24.41 24.31 25.22 24.95 25.75 25.34 26.76 26.71 26.51 29.74 29.71 28.26 28.23 28.54 27.69 28.03 27.46 27.00 26.28 26.16 26.77 28.26 27.23 216 1-Ethenyl-2-methylbenzene 28.30 26.63 28.00 30.69 30.41 26.31 26.62 26.80 26.86 27.87 26.40 28.36 27.88 28.96 29.06 27.93 30.82 30.76 29.72 29.58 29.61 28.56 28.96 28.41 29.11 28.02 27.31 27.88 28.92 27.40 217 1-Ethenyl-3-methylbenzene 27.61 25.89 27.24 29.95 29.77 24.45 25.21 25.37 25.40 26.19 25.35 26.74 26.27 27.64 27.70 27.05 30.17 30.13 28.82 28.71 28.84 27.88 28.26 27.74 27.76 26.82 26.42 27.03 27.84 26.89 218 1-Ethyl-1-methylcyclopentane -37.02 -37.21 -37.30 -36.58 -35.16 -26.63 -34.06 -34.36 -30.78 -28.02 -32.42 -33.59 -28.56 -34.56 -31.70 -35.13 -33.53 -33.69 -35.35 -35.68 -37.23 -36.88 -36.20 -35.64 -30.75 -32.49 -34.56 -35.54 -37.09 -36.55 219 1-Ethyl-1-methylcyclopropane -4.78 -7.30 -7.54 -6.93 -5.65 -5.75 -8.72 -9.36 -8.28 -5.19 -5.36 -8.94 -5.13 -8.20 -7.37 -7.52 -8.36 -8.35 -8.83 -8.18 -8.33 -7.73 -7.47 -7.08 -5.61 -6.44 -6.51 -6.85 -7.88 -5.85 220 1-Ethyl-2-methylbenzene 0.31 -1.66 -0.78 1.47 1.31 0.21 -1.89 -1.83 -0.59 0.72 -1.57 -0.86 0.59 -0.50 0.55 -1.23 1.74 1.62 0.19 -0.18 -0.24 -1.00 -0.26 -0.50 0.93 -0.52 -1.63 -1.16 1.80 -0.30 221 1-Ethyl-3-methylbenzene -0.43 -2.01 -1.25 1.10 1.07 -1.38 -2.94 -2.92 -1.73 -0.71 -2.17 -2.27 -0.74 -1.57 -0.57 -1.72 1.40 1.30 -0.51 -0.88 -0.79 -1.50 -0.74 -0.94 -0.22 -1.46 -2.18 -1.52 0.02 -1.33 222 1-Ethyl-4-methylbenzene -0.76 -1.88 -1.10 1.23 1.07 -1.33 -2.87 -2.85 -1.67 -0.63 -2.05 -2.21 -0.66 -1.48 -0.49 -1.60 1.52 1.44 -0.38 -0.74 -0.63 -1.36 -0.58 -0.80 -0.11 -1.37 -2.06 -1.38 0.54 -1.03 223 1-Ethylcyclopent-1-ene -4.71 -5.40 -5.12 -4.62 -3.06 -2.89 -5.90 -6.25 -4.65 -2.71 -3.18 -5.98 -2.70 -5.63 -4.39 -4.76 -2.52 -2.54 -5.09 -5.34 -5.78 -5.62 -5.00 -4.80 -3.35 -3.62 -3.83 -3.58 -9.44 -9.28 224 1-Ethylnaphthalene 23.16 20.23 21.85 26.10 25.13 26.70 21.06 21.28 23.24 25.70 21.06 21.55 25.25 21.61 23.32 19.72 26.29 26.07 24.18 23.54 22.48 21.32 23.40 23.46 25.14 23.23 20.97 21.66 27.22 25.96 225 Hex-1-yne 29.57 29.80 29.64 30.62 31.85 25.95 30.95 30.92 30.14 29.02 31.08 32.97 29.46 33.66 32.97 34.53 31.04 31.08 31.51 31.96 32.66 32.83 31.30 30.59 30.65 29.15 30.14 30.31 30.93 31.43 226 1H-indene 39.03 36.42 37.91 40.74 40.25 39.87 35.77 35.58 36.59 39.30 38.45 34.88 39.24 35.66 36.50 35.86 41.11 41.13 38.15 37.62 36.70 36.49 37.57 38.05 38.56 38.71 38.31 39.10 40.07 40.85 227 1-Methyl-1-propan-2-ylcyclopentane -37.92 -41.93 -42.01 -40.93 -39.47 -27.35 -36.67 -36.90 -32.63 -29.23 -35.71 -35.47 -30.03 -37.18 -33.74 -38.81 -37.40 -37.69 -38.86 -39.25 -41.25 -40.93 -40.26 -39.61 -32.87 -35.20 -38.26 -39.77 -41.08 -40.48 228 1-Methyl-1-propylcyclopentane -36.66 -40.04 -40.14 -39.26 -37.59 -27.33 -36.06 -36.33 -32.06 -28.99 -34.82 -35.11 -29.72 -36.48 -33.07 -37.64 -36.02 -36.31 -37.94 -38.41 -40.09 -39.65 -38.91 -38.34 -32.23 -34.29 -37.06 -38.27 -41.05 -40.77 229 1-Methyl-4-propan-2-ylbenzene -6.93 -8.44 -7.73 -4.97 -5.07 -4.76 -7.79 -7.74 -5.80 -4.47 -7.49 -6.77 -4.71 -6.45 -4.86 -7.22 -4.13 -4.30 -6.01 -6.41 -6.65 -7.46 -6.54 -6.69 -4.68 -6.46 -7.93 -7.49 -4.72 -6.27 230 1-Methyl-4-[propan-2-yl]cyclopent-1-ene -14.63 -18.95 -18.69 -17.46 -15.77 -10.60 -16.66 -16.96 -13.50 -11.21 -14.70 -16.13 -11.63 -16.43 -13.75 -16.50 -14.35 -14.55 -17.05 -17.42 -18.42 -18.23 -17.52 -17.14 -13.27 -14.25 -15.92 -16.37 -21.19 -20.47 231 1-Methylindene 34.20 29.78 31.20 34.52 33.93 35.92 30.74 30.60 32.17 35.06 32.80 30.08 34.84 30.60 31.90 30.16 35.66 35.60 32.56 31.92 30.67 30.40 31.69 32.28 33.84 33.32 32.22 32.97 34.78 35.41 232 1-Methylnaphthalene 27.94 24.95 26.63 30.53 29.61 29.28 24.71 24.90 26.39 28.52 25.18 24.90 28.20 25.26 26.56 24.00 30.19 30.08 28.29 27.83 26.91 25.78 27.64 27.70 28.35 26.95 25.35 26.11 31.20 30.67 233 1-Methyltetralin -1.88 -2.06 -1.09 1.85 1.72 9.85 0.94 0.92 4.80 7.11 1.84 0.47 6.41 -0.42 2.74 -1.35 3.08 2.84 -0.12 -0.46 -2.50 -2.82 -0.69 -0.09 3.66 2.99 0.48 0.31 -0.52 -0.30 234 1-Penten-3-yne 59.51 58.88 58.76 60.82 61.49 49.29 57.50 57.54 55.06 54.28 57.97 60.29 55.11 61.98 59.92 62.75 60.10 60.17 61.41 61.58 63.01 63.08 61.01 60.23 58.20 56.93 58.66 59.45 57.93 58.27 235 1-Penten-4-yne 64.29 64.78 65.50 66.65 67.87 59.50 67.42 67.51 65.29 63.54 66.22 70.21 64.15 70.88 69.02 71.07 66.77 66.85 67.87 68.39 69.12 69.08 66.90 66.07 65.83 64.98 66.24 66.79 64.72 65.80 236 Pent-1-ene -5.13 -4.97 -4.62 -4.64 -3.08 -9.46 -6.01 -6.09 -6.51 -6.76 -5.52 -4.31 -6.41 -3.44 -3.82 -2.87 -3.42 -3.37 -3.75 -3.64 -2.77 -3.02 -3.86 -4.54 -4.68 -5.60 -4.99 -4.74 -3.06 -4.64 237 Pent-1-yne 34.51 34.52 34.69 35.34 36.60 29.61 35.54 35.51 34.15 32.92 35.44 37.51 33.46 38.31 37.17 39.09 35.52 35.60 36.36 36.73 37.49 37.64 35.93 35.27 34.91 33.47 34.67 35.04 35.85 36.41 238 1-Phenylnaphthalene 59.03 54.51 57.16 64.06 61.32 65.74 57.28 57.75 60.04 63.39 56.12 57.56 62.64 57.21 59.26 53.62 63.54 63.16 60.30 59.17 57.31 55.44 58.74 58.90 61.69 59.72 56.17 57.42 63.74 62.39 239 1-Propylcyclopent-1-ene -9.66 -10.87 -10.64 -9.93 -8.26 -6.44 -10.68 -11.00 -8.72 -6.57 -8.22 -10.50 -6.71 -10.44 -8.66 -9.98 -7.64 -7.74 -10.36 -10.76 -11.29 -11.09 -10.35 -10.12 -7.69 -8.25 -9.03 -8.92 -14.15 -14.31 240 (1S,2S)-1,2-Dimethylcyclopropane -0.76 -0.89 -1.10 -0.76 0.43 -2.66 -4.07 -4.77 -4.46 -1.59 -0.13 -4.66 -1.29 -3.44 -3.22 -2.10 -2.63 -2.56 -3.26 -2.66 -2.40 -1.76 -1.56 -1.26 -1.21 -1.54 -0.84 -0.77 -3.11 -1.07 241 (1R,2R)-1-ethyl-1,2-dimethylcyclopentane -41.52 -41.58 -41.69 -40.40 -39.08 -26.84 -36.14 -36.38 -32.08 -28.69 -35.37 -34.92 -29.51 -36.60 -33.15 -38.38 -36.92 -37.23 -38.34 -38.77 -40.84 -40.44 -39.83 -39.14 -32.30 -34.72 -37.90 -39.28 -40.04 -39.95 242 (1R,2R)-1-methyl-2-propan-2-ylcyclopentane -46.42 -39.78 -39.83 -39.03 -37.34 -27.28 -35.92 -36.21 -31.96 -28.93 -34.50 -35.08 -29.64 -36.37 -32.98 -37.35 -35.75 -36.04 -37.74 -38.15 -39.80 -39.33 -38.57 -38.01 -32.13 -34.11 -36.75 -37.93 -39.04 -38.92 243 (1R,2S)-1,2-diethylcyclopentane -45.16 -39.45 -39.53 -38.83 -37.05 -27.90 -36.25 -36.55 -32.40 -29.49 -34.74 -35.54 -30.15 -36.73 -33.42 -37.55 -35.75 -36.06 -37.98 -38.45 -39.90 -39.40 -38.56 -38.10 -32.49 -34.28 -36.77 -37.87 -39.30 -39.57 244 (1R,2S)-1,2-dimethylcyclohexane -41.14 -41.67 -41.71 -41.04 -39.50 -30.90 -38.40 -38.61 -34.53 -32.74 -37.43 -38.02 -33.36 -39.23 -35.99 -39.64 -38.70 -38.86 -40.34 -40.44 -41.95 -41.62 -40.64 -40.20 -35.71 -37.16 -39.35 -40.52 -38.09 -37.86 245 (1R,2S)-1,2-dimethylcyclopentane -30.95 -31.07 -31.12 -30.80 -29.33 -23.86 -29.66 -30.00 -27.16 -24.82 -27.52 -29.67 -25.13 -30.14 -27.87 -29.97 -28.36 -28.41 -30.26 -30.57 -31.69 -31.33 -30.64 -30.18 -26.78 -28.01 -29.25 -29.79 -31.37 -30.84 246 (1R,2S)-1,2-dimethylcyclopropane 0.17 0.45 0.26 0.52 1.73 -1.14 -2.69 -3.38 -3.10 -0.10 1.08 -3.09 0.20 -2.03 -1.84 -0.94 -1.44 -1.37 -2.03 -1.47 -1.15 -0.55 -0.30 -0.03 0.26 -0.12 0.44 0.46 -2.23 -0.17 247 (1S,2R)-1-ethyl-1,2-dimethylcyclopentane -41.52 -42.26 -42.38 -41.18 -39.85 -27.82 -36.99 -37.24 -32.65 -29.64 -36.52 -35.79 -30.47 -37.43 -33.76 -39.15 -37.88 -38.20 -39.39 -39.90 -41.82 -41.45 -40.73 -40.09 -33.23 -35.55 -38.83 -40.18 -40.88 -40.54 248 (1S,2S)-1-ethyl-2-methylcyclopropane -5.62 -6.26 -6.49 -6.05 -4.65 -6.61 -9.00 -9.68 -8.79 -5.80 -5.04 -9.50 -5.62 -8.41 -7.74 -7.18 -7.60 -7.60 -8.52 -7.96 -7.82 -7.09 -6.79 -6.44 -5.80 -6.33 -5.97 -6.06 -7.83 -6.16 249 (1R,2S,3S)-1,2,3-trimethylcyclopentane -45.09 -40.09 -40.20 -39.59 -37.99 -30.91 -37.89 -38.24 -34.34 -32.17 -35.81 -37.96 -32.67 -38.39 -35.31 -38.17 -36.36 -36.52 -38.79 -39.11 -40.41 -39.96 -39.24 -38.66 -34.65 -36.09 -37.80 -38.52 -39.55 -38.94 250 (1S,2R,4S)-1-ethyl-1-methyl-2,4-bis(propan-2-yl)cyclohexane -75.79 -80.62 -80.76 failed -75.80 -47.50 -65.92 -65.87 -56.62 -52.15 -68.62 -62.38 -54.26 -66.86 -59.49 -72.49 -71.59 -72.91 -72.63 -73.71 -77.53 -76.91 -76.00 -74.90 -60.14 -64.89 -72.82 -76.46 -70.59 -71.77 251 (1S,3S)-1,3-dimethylcyclopentane -31.93 -31.86 -31.93 -31.73 -30.15 -26.09 -31.41 -31.78 -28.94 -26.87 -28.67 -31.81 -27.11 -31.83 -29.59 -30.99 -28.97 -29.01 -31.42 -31.70 -32.70 -32.24 -31.58 -31.09 -28.53 -29.53 -30.35 -30.71 -33.40 -32.48 252 (1R,3R)-1-methyl-3-propan-2-ylcyclopentane -46.42 -44.22 -44.31 -43.59 -41.81 -33.02 -41.17 -41.49 -37.12 -34.62 -39.10 -40.96 -35.27 -41.76 -38.30 -41.81 -40.18 -40.42 -42.60 -42.86 -44.41 -43.91 -43.13 -42.55 -37.64 -39.32 -41.41 -42.46 -43.06 -42.69 253 (1R,3S)-1,3-diethylcyclopentane -45.16 -42.39 -42.51 -42.10 -40.05 -33.06 -40.64 -40.99 -36.85 -34.50 -38.13 -40.66 -35.03 -41.23 -37.95 -40.81 -38.88 -39.09 -41.71 -41.99 -43.26 -42.70 -41.78 -41.29 -37.13 -38.47 -40.16 -41.01 -42.36 -42.33 254 (1R,3S)-1,3-dimethylcyclohexane -44.14 -44.35 -44.41 -43.87 -42.19 -34.83 -41.90 -42.14 -37.93 -36.53 -40.23 -42.01 -37.10 -42.73 -39.41 -42.29 -41.32 -41.47 -43.34 -43.31 -44.73 -44.32 -43.40 -42.94 -39.29 -40.51 -42.22 -43.23 -40.73 -40.32 255 (1R,3S)-1,3-dimethylcyclopentane -32.47 -32.13 -32.20 -32.05 -30.42 -26.41 -31.74 -32.12 -29.25 -27.20 -28.97 -32.16 -27.44 -32.18 -29.91 -31.29 -29.33 -29.37 -31.78 -32.04 -33.01 -32.56 -31.90 -31.42 -28.88 -29.84 -30.64 -31.01 -33.51 -32.63 256 (1R,3S)-1-methyl-3-propan-2-ylcyclopentane -46.42 -42.99 -43.10 -42.38 -40.60 -31.93 -40.08 -40.40 -36.07 -33.47 -38.10 -39.75 -34.09 -40.59 -37.16 -40.81 -38.85 -39.10 -41.42 -41.81 -43.24 -42.76 -41.92 -41.35 -36.41 -38.11 -40.30 -41.34 -42.52 -41.88 257 (1R,2S)-1-ethyl-2-methylcyclopropane -4.66 -4.96 -5.14 -4.78 -3.35 -4.93 -7.52 -8.19 -7.30 -4.17 -3.84 -7.77 -4.02 -6.90 -6.22 -5.99 -6.38 -6.38 -7.25 -6.71 -6.56 -5.87 -5.50 -5.19 -4.23 -4.82 -4.67 -4.84 -6.98 -5.26 258 (1R,2S)-1-methyl-2-propan-2-ylcyclopentane -46.42 -43.43 -43.51 -42.68 -40.96 -31.08 -39.66 -39.95 -35.56 -32.76 -38.05 -39.04 -33.48 -40.17 -36.68 -40.83 -39.27 -39.56 -41.40 -41.71 -43.38 -42.86 -42.18 -41.58 -35.98 -37.89 -40.39 -41.62 -42.20 -42.16 259 (1R,2S)-1-methyl-2-propylcyclopentane -45.16 -41.02 -41.12 -40.45 -38.66 -29.87 -38.05 -38.36 -34.26 -31.49 -36.41 -37.55 -32.10 -38.64 -35.37 -39.24 -37.46 -37.74 -39.70 -40.18 -41.61 -41.12 -40.22 -39.73 -34.43 -36.14 -38.47 -39.50 -40.22 -40.51 260 (1R,2S,4R)-4-ethyl-1,2-dimethylcyclopentane -50.02 -43.52 -43.66 -42.78 -41.11 -31.90 -40.13 -40.44 -36.13 -33.55 -38.44 -39.81 -34.18 -40.74 -37.31 -41.15 -39.48 -39.73 -41.73 -42.14 -43.71 -43.25 -42.39 -41.80 -36.59 -38.38 -40.69 -41.67 -42.22 -41.80 261 (1S,2S,4S)-4-ethyl-1,2-dimethylcyclopentane -50.02 -43.18 -43.27 -42.54 -40.72 -32.03 -40.15 -40.47 -36.18 -33.62 -38.23 -39.90 -34.24 -40.74 -37.33 -40.95 -39.19 -39.45 -41.60 -41.99 -43.51 -42.99 -42.16 -41.55 -36.58 -38.28 -40.46 -41.37 -42.21 -41.93 262 (1R,2R)-1,2,4-trimethylcyclopentane -45.09 -39.56 -39.69 -39.07 -37.48 -30.94 -37.67 -38.02 -34.25 -32.12 -35.37 -37.87 -32.57 -38.16 -35.18 -37.74 -35.75 -35.90 -38.34 -38.69 -39.95 -39.48 -38.74 -38.15 -34.46 -35.83 -37.36 -37.98 -39.79 -38.87 263 (1S,2S)-1,2-diethylcyclopentane -45.16 -42.29 -42.44 -41.70 -39.86 -31.46 -39.48 -39.81 -35.64 -33.02 -37.63 -39.14 -33.63 -40.05 -36.74 -40.37 -38.49 -38.78 -40.97 -41.39 -42.79 -42.23 -41.39 -40.88 -35.88 -37.54 -39.71 -40.65 -41.95 -42.10 264 (1R,2R)-1-methyl-2-propylcyclopentane -45.16 -42.30 -42.43 -41.87 -39.94 -32.32 -40.15 -40.49 -36.28 -33.80 -38.00 -39.96 -34.37 -40.69 -37.36 -40.67 -38.63 -38.91 -41.38 -41.78 -43.06 -42.50 -41.62 -41.12 -36.53 -38.01 -39.99 -40.91 -42.22 -42.45 265 (1R,3S)-1-ethyl-3-methylcyclopentane -40.23 -37.29 -37.39 -37.09 -35.27 -29.76 -36.21 -36.57 -33.07 -30.87 -33.57 -36.44 -31.25 -36.73 -33.95 -36.08 -34.13 -34.25 -36.76 -37.03 -38.16 -37.65 -36.87 -36.38 -33.02 -34.18 -35.43 -36.04 -37.94 -37.47 266 (1R,3S)-1-methyl-3-propylcyclopentane -45.16 -41.90 -42.04 -41.55 -39.61 -32.66 -40.24 -40.58 -36.45 -34.05 -37.75 -40.22 -34.57 -40.77 -37.50 -40.42 -38.28 -38.52 -41.22 -41.56 -42.78 -42.23 -41.30 -40.82 -36.64 -38.01 -39.74 -40.58 -42.38 -42.15 267 (1S,3S)-1,3-diethylcyclopentane -45.16 -42.26 -42.40 -41.92 -39.96 -32.87 -40.45 -40.80 -36.68 -34.29 -37.96 -40.47 -34.83 -41.03 -37.77 -40.65 -38.63 -38.85 -41.48 -41.78 -43.07 -42.50 -41.60 -41.10 -36.92 -38.30 -40.01 -40.86 -42.16 -42.13 268 (1S,3S)-1,3-dimethylcyclohexane -42.19 -42.50 -42.55 -41.91 -40.34 -32.36 -39.60 -39.82 -35.73 -34.11 -38.37 -39.42 -34.70 -40.41 -37.17 -40.50 -39.43 -39.59 -41.31 -41.39 -42.85 -42.48 -41.51 -41.06 -36.96 -38.31 -40.30 -41.38 -39.40 -38.91 269 (1S,3S)-1-methyl-3-propylcyclopentane -45.16 -38.10 -38.17 -37.70 -36.66 -28.66 -36.40 -36.73 -32.62 -29.95 -34.20 -36.00 -30.51 -36.72 -33.46 -36.83 -34.40 -34.66 -37.38 -37.89 -38.99 -38.43 -37.50 -37.04 -32.50 -34.00 -36.03 -36.90 -40.97 -39.17 270 (1Z,3Z)-cycloocta-1,3-diene 24.16 18.62 19.62 21.05 22.46 22.79 20.10 20.11 22.25 23.46 20.57 22.04 23.24 21.63 23.28 21.04 21.94 21.88 20.54 20.62 20.09 19.83 20.43 20.12 22.81 22.48 21.12 20.82 13.64 14.67 271 (1Z,4Z)-cycloocta-1,4-diene 24.16 22.84 23.87 25.22 27.00 27.26 25.09 25.08 27.32 28.08 25.42 27.13 27.87 26.67 28.39 26.32 26.71 26.64 24.71 24.89 24.36 24.16 24.72 24.38 27.19 27.17 25.91 25.64 12.54 13.39 272 (1Z,5Z)-cycloocta-1,5-diene 24.27 23.22 24.35 25.61 27.23 27.33 25.08 25.07 27.27 27.97 25.41 26.92 27.77 26.47 28.15 26.16 26.89 26.82 24.77 25.01 24.52 24.34 24.97 24.68 27.13 27.28 26.06 25.85 14.63 16.50 273 (1Z)-prop-1-en-1-ylbenzene 28.99 28.05 29.46 31.93 31.74 26.35 26.94 27.10 27.13 28.05 27.08 28.60 28.12 29.35 29.42 28.67 31.69 31.64 30.31 30.12 30.44 29.52 29.90 29.30 29.55 28.70 28.23 28.86 28.69 27.11 274 2,2,3,3-Tetramethylbutane -53.92 -54.92 -55.01 -53.82 -52.74 -42.82 -48.21 -48.16 -44.94 -42.74 -49.60 -44.80 -43.50 -46.45 -43.86 -49.21 -50.89 -51.15 -49.37 -49.42 -50.47 -50.92 -51.53 -51.57 -44.64 -48.68 -51.93 -53.62 -46.61 -47.40 275 2,2,3-Trimethylpentane -52.57 -51.20 -51.30 -50.59 -49.19 -42.55 -46.90 -46.91 -43.78 -42.08 -47.79 -43.83 -42.68 -44.97 -42.49 -46.97 -47.92 -48.19 -47.45 -47.57 -48.04 -48.29 -48.68 -48.86 -43.22 -46.72 -49.44 -50.78 -44.42 -45.26 276 2,2,4-Trimethylpentane -53.54 -54.03 -54.19 -53.50 -51.96 -47.05 -50.70 -50.75 -47.57 -46.37 -50.84 -48.27 -46.87 -48.78 -46.29 -49.81 -50.58 -50.83 -50.64 -50.72 -51.08 -51.27 -51.64 -51.82 -47.20 -50.39 -52.52 -53.59 -48.16 -49.18 277 2,2-Dimethylbutane -44.31 -44.03 -44.17 -43.99 -42.74 -41.73 -42.77 -42.87 -41.13 -40.44 -42.45 -41.00 -40.58 -40.89 -39.53 -41.09 -41.85 -41.88 -41.71 -41.67 -41.55 -41.82 -42.28 -42.53 -40.12 -42.69 -43.62 -44.13 -38.01 -39.09 278 2,2-Dimethylpentane -49.20 -49.11 -49.27 -49.00 -47.49 -45.50 -47.50 -47.60 -45.29 -44.46 -47.06 -45.64 -44.71 -45.67 -43.86 -45.91 -46.49 -46.62 -46.70 -46.67 -46.68 -46.87 -47.23 -47.46 -44.50 -47.20 -48.41 -49.12 -43.13 -44.40 279 2,3,3-Trimethylbut-1-ene -20.44 -21.61 -21.34 -20.28 -19.07 -17.66 -18.19 -18.15 -16.76 -15.98 -18.97 -15.37 -16.19 -15.65 -14.58 -16.91 -18.04 -18.13 -17.58 -17.40 -17.53 -18.19 -18.80 -19.21 -15.81 -18.25 -19.67 -20.14 -18.45 -19.33 280 2,3,3-Trimethylpent-1-ene -24.09 -26.76 -26.55 -25.10 -23.92 -19.90 -22.00 -21.92 -19.86 -18.66 -23.41 -18.69 -19.06 -19.52 -17.90 -21.62 -22.71 -22.93 -22.12 -22.12 -22.48 -23.13 -23.67 -24.05 -19.14 -22.02 -24.31 -25.02 -22.00 -23.71 281 2,3,3-Trimethylpentane -52.21 -52.52 -52.63 -51.88 -50.47 -43.80 -48.17 -48.18 -45.10 -43.38 -48.92 -45.20 -43.96 -46.32 -43.88 -48.22 -49.11 -49.38 -48.64 -48.71 -49.20 -49.51 -49.86 -50.06 -44.54 -47.99 -50.62 -52.02 -44.93 -46.72 282 2,3,4-Trimethylpent-1-ene -25.26 -24.72 -24.54 -23.32 -21.83 -19.89 -21.33 -21.29 -19.17 -18.34 -22.49 -18.15 -18.65 -18.66 -17.02 -20.30 -21.11 -21.34 -21.09 -21.23 -21.15 -21.67 -22.12 -22.61 -18.34 -20.92 -22.94 -23.44 -22.27 -23.75 283 2,3,4-Trimethylpent-2-ene -26.08 -23.35 -23.80 -22.25 -21.38 -21.14 -22.66 -22.66 -20.60 -19.01 -22.32 -19.50 -19.17 -19.39 -17.80 -20.42 -20.04 -20.27 -20.46 -20.63 -20.20 -20.84 -21.01 -21.49 -18.38 -20.84 -22.48 -22.61 -28.00 -29.20 284 2,3,4-Trimethylpentane -51.94 -50.81 -50.94 -50.40 -48.77 -43.96 -47.73 -47.78 -44.76 -43.31 -48.17 -45.01 -43.80 -45.79 -43.40 -47.24 -47.82 -48.11 -47.80 -48.00 -48.21 -48.39 -48.67 -48.94 -44.06 -47.22 -49.55 -50.63 -44.15 -46.11 285 2,3-Dihydro-1H-indene 14.51 12.96 13.90 16.21 15.82 18.35 12.47 12.24 14.09 16.77 15.07 11.16 16.57 11.37 12.91 11.61 16.80 16.78 13.33 12.76 11.56 11.46 13.05 13.63 14.99 15.09 14.30 14.82 12.18 12.84 286 2,3-Dimethylhex-1-ene -23.35 -25.31 -25.19 -24.10 -22.49 -22.27 -23.06 -23.05 -21.17 -20.61 -23.78 -20.35 -20.81 -20.49 -19.05 -21.57 -21.94 -22.16 -22.41 -22.64 -22.30 -22.73 -23.07 -23.61 -20.24 -22.49 -24.04 -24.32 -22.80 -24.78 287 2,3-Dimethylhex-2-ene -25.93 -25.67 -25.55 -24.94 -23.23 -25.39 -26.36 -26.41 -24.45 -23.23 -25.26 -23.76 -23.28 -23.30 -21.79 -23.42 -22.98 -23.17 -23.77 -23.85 -23.20 -23.71 -23.85 -24.39 -22.30 -24.34 -25.34 -25.39 -29.29 -31.61 288 2,3-Dimethylhexane -51.10 -51.31 -51.50 -51.14 -49.37 -46.14 -49.38 -49.45 -46.57 -45.40 -49.40 -47.04 -45.78 -47.51 -45.25 -48.42 -48.64 -48.91 -49.11 -49.32 -49.22 -49.36 -49.50 -49.85 -45.81 -48.66 -50.58 -51.52 -45.10 -47.35 289 2,3-Dimethylpent-1-ene -19.67 -20.44 -20.32 -19.37 -17.95 -19.37 -18.93 -18.94 -17.71 -17.38 -19.34 -16.52 -17.41 -16.33 -15.40 -16.97 -17.42 -17.53 -17.73 -17.85 -17.42 -17.86 -18.36 -18.86 -16.51 -18.51 -19.48 -19.52 -18.28 -19.92 290 2,3-Dimethylpent-2-ene -20.96 -20.27 -20.13 -19.60 -18.15 -21.28 -21.28 -21.34 -19.97 -18.88 -20.29 -18.77 -18.82 -18.17 -17.14 -18.27 -17.99 -18.10 -18.44 -18.49 -17.76 -18.32 -18.59 -19.12 -17.59 -19.49 -20.19 -20.06 -23.97 -26.11 291 Hexa-2,3-diene 26.97 26.74 27.15 28.17 29.12 17.51 22.46 22.38 21.74 22.01 24.42 24.99 22.63 26.88 26.29 28.12 27.58 27.61 27.38 27.31 28.72 28.66 27.28 26.66 25.43 25.12 26.24 27.03 17.35 15.88 292 Penta-2,3-diene 31.80 31.69 32.11 33.08 33.81 21.50 27.26 27.18 26.07 26.17 29.04 29.71 26.89 31.70 30.72 32.92 32.15 32.20 32.35 32.21 33.73 33.65 32.08 31.47 29.86 29.76 31.10 31.98 22.09 20.68 293 2,4-Dimethyl-3-methylidenepentane -24.71 -25.15 -25.07 -23.68 -22.23 -20.95 -21.87 -21.82 -19.99 -19.24 -22.93 -18.95 -19.47 -19.17 -17.75 -20.67 -21.18 -21.40 -21.38 -21.64 -21.51 -22.12 -22.36 -22.87 -19.00 -21.62 -23.43 -23.64 -22.63 -24.53 294 2,4-Dimethylhex-1-ene -24.28 -24.38 -24.18 -23.30 -21.52 -22.16 -22.74 -22.75 -20.79 -20.34 -22.88 -20.15 -20.50 -20.06 -18.58 -20.61 -21.12 -21.32 -21.75 -21.83 -21.49 -21.85 -22.28 -22.82 -19.86 -21.86 -23.09 -23.42 -24.02 -25.53 295 2,4-Dimethylhex-2-ene -25.84 -23.73 -23.60 -22.65 -21.06 -22.45 -23.09 -23.12 -21.20 -20.34 -22.92 -20.33 -20.43 -20.11 -18.64 -20.71 -20.51 -20.73 -21.32 -21.55 -20.96 -21.44 -21.64 -22.18 -19.51 -21.69 -22.98 -23.04 -25.93 -26.96 296 2,4-Dimethylhexane -52.40 -50.76 -50.91 -50.71 -48.74 -46.75 -49.60 -49.70 -46.83 -45.80 -48.95 -47.50 -46.14 -47.64 -45.39 -47.90 -48.10 -48.34 -48.86 -48.91 -48.84 -48.90 -49.13 -49.46 -46.02 -48.65 -50.14 -50.97 -46.33 -48.02 297 2,4-Dimethylpentane -48.20 -48.17 -48.32 -48.23 -46.53 -45.90 -47.57 -47.68 -45.41 -44.71 -46.84 -45.85 -44.91 -45.66 -43.89 -45.57 -45.87 -46.01 -46.42 -46.41 -46.22 -46.32 -46.64 -46.94 -44.48 -46.94 -47.94 -48.53 -42.54 -44.20 298 2,5-Dimethylhex-1-ene -25.26 -24.34 -24.14 -23.31 -21.54 -22.25 -22.92 -22.93 -20.87 -20.42 -23.17 -20.24 -20.61 -20.19 -18.64 -20.84 -21.17 -21.37 -21.91 -22.07 -21.61 -21.96 -22.37 -22.92 -19.91 -21.94 -23.29 -23.59 -23.80 -25.15 299 2,5-Dimethylhex-2-ene -27.56 -27.37 -27.24 -26.51 -24.76 -27.08 -27.62 -27.68 -25.66 -24.99 -26.71 -25.30 -25.05 -24.75 -23.22 -24.62 -24.45 -24.63 -25.42 -25.52 -24.85 -25.23 -25.54 -26.04 -24.10 -26.02 -26.87 -26.94 -27.97 -29.48 300 2,6-Dimethylhept-3-yne 11.80 6.29 6.88 failed 9.73 6.40 7.82 7.82 8.91 8.77 8.53 10.21 8.85 10.60 11.41 11.17 8.46 8.34 8.23 8.83 9.20 9.24 8.40 7.97 9.41 6.95 6.82 6.87 9.35 9.88 301 (2E)-3,4,4-trimethylpent-2-ene -24.06 -26.82 -26.61 -25.45 -24.21 -22.06 -24.09 -24.06 -21.98 -20.45 -24.25 -20.92 -20.74 -21.29 -19.67 -22.65 -23.21 -23.42 -22.99 -22.91 -22.98 -23.64 -24.07 -24.44 -20.52 -23.21 -25.03 -25.53 -25.84 -27.54 302 (2E)-3,4-dimethylhex-2-ene -26.22 -26.16 -26.15 -25.06 -23.58 -24.41 -25.38 -25.42 -23.45 -22.48 -25.20 -22.69 -22.59 -22.54 -21.04 -23.21 -23.03 -23.25 -23.70 -23.90 -23.36 -23.82 -24.08 -24.57 -21.81 -24.03 -25.38 -25.47 -25.54 -28.11 303 (2E)-3,4-dimethylpent-2-ene -18.78 -20.51 -20.44 -19.65 -18.22 -21.08 -20.72 -20.79 -19.49 -18.79 -20.13 -18.34 -18.75 -17.83 -16.86 -17.93 -17.85 -17.95 -18.47 -18.48 -17.83 -18.31 -18.68 -19.18 -17.59 -19.46 -20.12 -20.07 -21.06 -22.97 304 (2E)-3,5-dimethylhex-2-ene -26.60 -26.95 -26.86 -26.02 -24.38 -26.02 -26.79 -26.85 -24.79 -24.00 -26.18 -24.28 -24.09 -23.91 -22.36 -24.11 -23.99 -24.19 -24.81 -24.93 -24.32 -24.73 -25.03 -25.54 -23.22 -25.25 -26.33 -26.46 -27.36 -29.25 305 (2E)-3-ethyl-4-methylpent-2-ene -23.97 -25.01 -24.90 -23.94 -22.45 -23.23 -24.10 -24.12 -22.32 -21.27 -23.93 -21.39 -21.37 -21.24 -19.86 -21.98 -21.89 -22.12 -22.43 -22.56 -22.14 -22.65 -22.87 -23.39 -20.59 -22.87 -24.19 -24.28 -25.28 -27.79 306 (2E)-3-ethylhex-2-ene -24.86 -24.20 -24.13 -23.43 -21.68 -24.70 -24.79 -24.86 -23.26 -22.48 -23.94 -22.45 -22.46 -21.90 -20.69 -21.88 -21.38 -21.57 -22.54 -22.67 -21.92 -22.30 -22.44 -23.05 -21.31 -23.22 -23.95 -23.90 -25.48 -28.11 307 (2E)-3-methylhept-2-ene -25.17 -24.54 -24.42 -23.98 -22.03 -25.94 -25.95 -26.05 -24.37 -23.71 -24.48 -23.81 -23.67 -23.10 -21.83 -22.48 -22.04 -22.18 -23.42 -23.32 -22.55 -22.84 -23.06 -23.65 -22.48 -24.04 -24.41 -24.48 -26.38 -28.50 308 (2E)-3-methylhex-2-ene -20.20 -19.59 -19.50 -18.95 -17.39 -21.40 -20.76 -20.85 -19.66 -19.02 -19.94 -18.48 -18.91 -17.86 -16.98 -17.74 -17.47 -17.57 -18.25 -18.38 -17.46 -17.86 -18.20 -18.79 -17.55 -19.20 -19.68 -19.50 -20.80 -23.03 309 (2E)-4,4-dimethylhex-2-ene -25.14 -26.00 -25.84 -24.66 -23.27 -22.54 -23.57 -23.58 -21.64 -20.84 -23.68 -20.85 -21.04 -20.95 -19.45 -21.70 -22.43 -22.61 -22.68 -22.55 -22.48 -22.93 -23.41 -23.82 -20.61 -22.98 -24.34 -24.75 -22.97 -24.45 310 (2E)-4,4-dimethylpent-2-ene -21.39 -22.13 -21.96 -20.97 -19.69 -20.96 -20.59 -20.62 -19.30 -18.91 -20.40 -18.31 -18.95 -17.95 -16.95 -18.13 -18.94 -19.03 -19.12 -18.94 -18.71 -19.17 -19.78 -20.18 -18.13 -20.20 -20.91 -21.01 -19.74 -20.75 311 (2E)-4,5-dimethylhex-2-ene -25.53 -25.80 -25.66 -24.67 -23.06 -23.89 -24.43 -24.47 -22.59 -21.97 -24.15 -21.95 -22.09 -21.73 -20.30 -22.04 -22.37 -22.55 -23.06 -23.10 -22.75 -23.07 -23.55 -23.99 -21.38 -23.52 -24.57 -24.74 -23.49 -25.59 312 (2E,4E)-hexa-2,4-diene 10.35 10.56 11.12 11.94 13.34 2.27 7.16 7.12 6.45 6.44 8.60 9.53 6.97 11.34 10.71 12.36 12.80 12.84 12.51 12.58 13.99 13.58 12.59 11.74 10.15 9.20 10.23 10.85 9.03 7.59 313 (2E)-4-ethylhex-2-ene -23.85 -25.02 -24.95 -24.08 -22.41 -24.63 -24.69 -24.75 -23.09 -22.57 -24.15 -22.41 -22.58 -22.00 -20.74 -22.04 -21.92 -22.12 -22.98 -23.15 -22.53 -22.78 -23.18 -23.66 -21.60 -23.55 -24.35 -24.26 -22.65 -25.42 314 (2E)-4-methhylhept-2-ene -24.26 -24.05 -23.95 -23.30 -21.42 -24.71 -24.37 -24.45 -22.87 -22.54 -23.31 -22.31 -22.52 -21.66 -20.47 -21.12 -21.07 -21.21 -22.41 -22.31 -21.71 -21.90 -22.28 -22.82 -21.44 -23.10 -23.47 -23.54 -23.27 -25.36 315 (2E)-4-methylhex-2-ene -19.24 -18.97 -18.85 -18.25 -16.62 -20.82 -19.54 -19.62 -18.61 -18.41 -18.65 -17.56 -18.29 -16.78 -16.04 -16.26 -16.34 -16.41 -17.32 -17.25 -16.55 -16.81 -17.31 -17.85 -16.96 -18.51 -18.63 -18.51 -18.22 -20.16 316 (2E)-5,5-dimethylhex-2-ene -27.10 -27.86 -27.70 -26.63 -25.09 -24.98 -25.79 -25.81 -23.73 -23.19 -25.76 -23.26 -23.38 -23.14 -21.55 -23.59 -24.28 -24.44 -24.67 -24.68 -24.50 -24.86 -25.42 -25.81 -22.84 -25.13 -26.36 -26.70 -25.58 -26.59 317 (2E)-5-methylhept-2-ene -23.92 -24.45 -24.28 -23.70 -21.78 -24.51 -24.56 -24.63 -22.89 -22.45 -23.66 -22.33 -22.48 -21.85 -20.55 -21.54 -21.63 -21.77 -22.74 -22.69 -22.09 -22.30 -22.74 -23.28 -21.51 -23.20 -23.79 -23.95 -23.07 -25.11 318 (2E)-5-methylhex-2-ene -19.67 -19.90 -19.72 -19.23 -17.52 -21.68 -20.53 -20.62 -19.50 -19.32 -19.61 -18.57 -19.20 -17.80 -16.98 -17.25 -17.43 -17.50 -18.31 -18.28 -17.55 -17.79 -18.35 -18.89 -17.92 -19.43 -19.58 -19.47 -19.05 -20.68 319 (2E)-6-methylhept-2-ene -24.26 -24.25 -24.07 -23.63 -21.60 -25.11 -24.83 -24.91 -23.24 -22.96 -23.58 -22.79 -22.95 -22.11 -20.87 -21.39 -21.49 -21.60 -22.82 -22.62 -22.02 -22.19 -22.61 -23.18 -21.90 -23.42 -23.70 -23.92 -23.81 -25.45 320 (2E)-hept-2-ene -17.83 -17.00 -16.83 -16.64 -14.73 -20.54 -18.86 -18.97 -18.17 -18.02 -17.45 -17.05 -17.81 -16.11 -15.54 -15.14 -15.00 -15.04 -16.29 -16.16 -15.24 -15.41 -15.87 -16.52 -16.27 -17.45 -17.17 -17.04 -17.54 -19.48 321 (2E)-oct-2-ene -22.78 -20.19 -20.04 -19.69 -17.52 -22.04 -21.53 -21.60 -20.13 -19.72 -20.36 -19.32 -19.66 -18.67 -17.56 -18.13 -17.79 -17.96 -19.33 -19.35 -18.50 -18.64 -18.97 -19.63 -18.37 -19.82 -20.14 -20.16 -21.83 -23.88 322 2-Ethyl-3,3-dimethylbut-1-ene -24.27 -24.13 -23.89 -22.61 -21.28 -18.03 -19.72 -19.64 -17.75 -16.55 -21.03 -16.34 -16.93 -17.05 -15.57 -19.08 -20.02 -20.23 -19.68 -19.67 -19.93 -20.60 -21.04 -21.49 -16.81 -19.70 -21.86 -22.47 -21.77 -23.33 323 2-Ethylnaphthalene 22.92 19.56 21.18 25.30 24.37 24.63 19.50 19.69 21.64 23.79 20.07 19.64 23.42 20.06 21.74 18.86 25.43 25.27 22.99 22.43 21.47 20.38 22.48 22.56 23.47 21.87 20.07 20.88 26.01 25.28 324 2-Ethylpent-1-ene -17.84 -17.26 -17.10 -16.46 -14.81 -17.58 -16.71 -16.73 -15.70 -15.39 -16.99 -14.26 -15.36 -13.98 -13.21 -14.51 -14.80 -14.91 -15.35 -15.57 -14.86 -15.27 -15.62 -16.27 -14.20 -16.01 -16.82 -16.70 -17.03 -19.12 325 2-Methyl-2,3-pentadiene 24.63 23.67 23.94 25.15 25.96 14.87 19.45 19.36 18.96 19.35 21.39 22.00 19.95 23.93 23.52 25.07 24.54 24.54 24.50 24.36 25.80 25.59 24.36 23.81 22.69 22.20 23.13 24.03 12.91 11.75 326 (2-Methyl-2-propanyl)cyclopentane -42.39 -41.22 -41.26 -40.23 -38.70 -26.97 -36.13 -36.36 -31.86 -28.67 -35.37 -34.73 -29.50 -36.42 -32.82 -38.06 -36.78 -37.08 -38.33 -38.75 -40.67 -40.32 -39.66 -39.03 -32.23 -34.59 -37.77 -39.28 -41.23 -40.37 327 2-Methyl-3-methylenehexane -23.44 -23.96 -23.84 -22.85 -21.10 -21.82 -22.17 -22.17 -20.47 -19.94 -22.49 -19.56 -20.07 -19.48 -18.18 -20.22 -20.49 -20.69 -21.19 -21.32 -21.00 -21.42 -21.72 -22.26 -19.34 -21.55 -22.80 -22.98 -22.70 -24.72 328 2-Methyl-4-methlenehexane -24.71 -25.63 -25.51 -24.55 -22.87 -23.47 -23.93 -23.92 -22.14 -21.66 -24.23 -21.41 -21.81 -21.30 -19.94 -22.00 -22.14 -22.34 -22.87 -23.04 -22.67 -23.05 -23.42 -23.94 -21.08 -23.27 -24.53 -24.76 -23.86 -25.53 329 2-Methylbut-1-ene -8.44 -8.48 -8.26 -7.97 -6.64 -12.71 -9.45 -9.53 -9.77 -9.95 -9.06 -7.71 -9.61 -6.74 -6.98 -6.31 -6.63 -6.58 -6.91 -6.91 -6.05 -6.42 -7.17 -7.75 -7.82 -9.00 -8.59 -8.21 -8.78 -9.94 330 2-Methylbut-2-ene -9.99 -9.86 -9.69 -9.48 -8.20 -15.19 -12.28 -12.41 -12.39 -12.23 -11.07 -10.53 -11.85 -9.33 -9.38 -8.49 -8.53 -8.49 -8.88 -8.86 -7.75 -8.14 -8.83 -9.40 -9.91 -10.99 -10.45 -9.98 -12.23 -13.28 331 2-Methyldecane -65.88 -66.81 -67.04 failed -64.10 -62.25 -67.00 -67.14 -62.85 -61.83 -64.61 -65.39 -62.32 -65.34 -61.98 -64.21 -63.82 -64.11 -66.33 -65.97 -65.92 -65.72 -65.38 -65.80 -62.61 -64.92 -66.18 -67.40 -61.75 -64.18 332 2-Methylhept-1-ene -22.85 -21.10 -20.86 -20.42 -18.28 -21.07 -21.01 -21.04 -19.39 -19.04 -20.62 -18.59 -19.11 -18.28 -17.04 -18.32 -18.40 -18.57 -19.61 -19.64 -18.98 -19.25 -19.55 -20.22 -18.14 -19.76 -20.52 -20.80 -22.69 -23.95 333 2-Methylhept-2-ene -25.48 -25.13 -25.03 -24.52 -22.64 -26.36 -26.44 -26.52 -24.79 -24.13 -25.16 -24.27 -24.10 -23.57 -22.27 -23.13 -22.63 -22.80 -23.94 -24.04 -23.20 -23.48 -23.72 -24.27 -22.92 -24.57 -25.09 -25.03 -26.71 -28.65 334 2-Methylheptane -51.47 -51.54 -51.72 -51.93 -49.70 -50.31 -52.25 -52.40 -49.86 -49.17 -50.55 -50.81 -49.34 -50.43 -48.45 -49.56 -49.42 -49.57 -50.83 -50.67 -50.34 -50.30 -50.38 -50.77 -48.87 -50.99 -51.61 -52.22 -46.74 -48.87 335 2-Methylhex-1-ene -18.46 -17.60 -17.42 -16.89 -15.15 -18.78 -17.66 -17.71 -16.65 -16.52 -17.33 -15.51 -16.44 -14.97 -14.18 -14.85 -15.16 -15.25 -15.97 -16.00 -15.31 -15.62 -16.07 -16.68 -15.23 -16.76 -17.15 -17.11 -18.43 -19.91 336 2-Methylhex-2-ene -20.51 -19.33 -19.21 -18.76 -17.08 -21.89 -20.91 -21.00 -19.91 -19.41 -19.75 -18.83 -19.26 -18.00 -17.20 -17.50 -17.16 -17.24 -18.14 -18.16 -17.25 -17.63 -17.95 -18.54 -17.79 -19.33 -19.51 -19.32 -21.44 -23.04 337 2-Methylhex-3-yne 17.93 19.55 19.58 20.69 21.98 15.55 19.54 19.49 19.04 18.61 20.44 21.57 19.03 22.43 22.03 23.41 20.82 20.82 20.89 21.41 22.16 22.24 21.17 20.68 20.39 18.48 19.32 19.83 20.64 21.00 338 2-Methylhexane -46.51 -46.45 -46.62 -46.86 -44.91 -46.34 -47.34 -47.49 -45.54 -44.96 -45.87 -45.97 -45.02 -45.47 -43.95 -44.68 -44.63 -44.72 -45.66 -45.56 -45.14 -45.16 -45.39 -45.76 -44.30 -46.36 -46.76 -47.16 -41.74 -43.76 339 2-Methylindene 33.15 27.31 28.61 31.79 31.38 31.65 26.35 26.14 28.04 30.91 29.30 25.42 30.76 26.30 27.83 26.59 32.30 32.25 28.96 28.32 27.41 27.14 28.53 29.09 29.91 29.84 29.06 29.90 28.80 30.26 340 2-Methylnaphthalene 26.62 24.66 26.33 30.19 29.28 28.02 23.84 24.01 25.49 27.41 24.63 23.79 27.16 24.42 25.71 23.59 29.88 29.80 27.68 27.21 26.40 25.31 27.21 27.28 27.43 26.24 24.91 25.78 30.01 29.96 341 2-Methylnonane -61.31 -61.72 -61.93 failed -59.29 -58.27 -62.08 -62.22 -58.51 -57.61 -59.92 -60.52 -57.99 -60.36 -57.46 -59.32 -59.01 -59.26 -61.16 -60.87 -60.73 -60.58 -60.38 -60.79 -58.03 -60.27 -61.32 -62.34 -56.75 -59.08 342 2-Methyloctane -56.12 -56.63 -56.83 -57.00 -54.50 -54.29 -57.17 -57.31 -54.19 -53.39 -55.24 -55.67 -53.67 -55.40 -52.96 -54.45 -54.22 -54.42 -55.99 -55.77 -55.53 -55.44 -55.38 -55.78 -53.46 -55.64 -56.47 -57.28 -51.74 -53.98 343 2-Methylpent-1-ene -14.18 -13.81 -13.64 -13.17 -11.70 -16.22 -14.19 -14.24 -13.80 -13.76 -13.99 -12.18 -13.58 -11.51 -11.21 -11.42 -11.71 -11.73 -12.15 -12.24 -11.43 -11.80 -12.40 -12.98 -12.11 -13.55 -13.68 -13.45 -13.49 -14.79 344 2-Methylpent-2-ene -15.98 -14.66 -14.52 -14.20 -12.74 -18.85 -16.77 -16.88 -16.41 -16.09 -15.49 -14.92 -15.80 -13.83 -13.52 -13.08 -12.83 -12.85 -13.57 -13.56 -12.56 -12.93 -13.44 -14.01 -14.04 -15.36 -15.09 -14.72 -16.96 -18.56 345 2-Methylpenta-1,4-diene 17.66 16.34 17.01 17.92 19.48 12.28 16.94 16.98 16.33 15.68 16.53 19.41 16.02 20.35 19.75 20.39 19.68 19.69 19.15 19.29 20.06 19.59 18.53 17.74 17.95 17.24 17.63 18.01 13.15 12.82 346 2-Methylpentane -41.75 -41.32 -41.48 -41.76 -40.10 -42.35 -42.41 -42.57 -41.21 -40.73 -41.15 -41.10 -40.69 -40.49 -39.43 -39.78 -39.82 -39.85 -40.49 -40.44 -39.92 -40.00 -40.35 -40.72 -39.71 -41.70 -41.87 -42.07 -36.73 -38.65 347 (2-Methylpropyl)cyclopentane -41.56 -40.90 -40.99 -40.43 -38.51 -30.60 -38.53 -38.84 -34.78 -32.01 -36.32 -38.07 -32.59 -38.96 -35.73 -39.12 -37.11 -37.37 -39.69 -40.01 -41.44 -40.93 -40.08 -39.60 -34.79 -36.41 -38.43 -39.52 -41.50 -41.37 348 (2S)-2-ethyl-1,1-dimethylcyclopentane -41.52 -42.04 -42.16 -40.91 -39.55 -27.81 -36.92 -37.17 -32.82 -29.58 -35.93 -35.85 -30.37 -37.36 -33.88 -38.85 -37.39 -37.69 -38.94 -39.36 -41.36 -41.03 -40.36 -39.72 -33.11 -35.42 -38.43 -39.82 -41.30 -40.91 349 (2Z)-3,4,4-trimethylpent-2-ene -22.39 -23.08 -22.84 -21.60 -20.38 -18.02 -19.96 -19.92 -17.87 -16.24 -20.50 -16.48 -16.55 -16.93 -15.34 -18.68 -19.12 -19.33 -18.94 -18.97 -19.02 -19.73 -20.08 -20.53 -16.24 -19.06 -21.12 -21.65 -24.46 -25.30 350 (2Z)-3,4-dimethylhex-2-ene -26.22 -25.93 -25.89 -24.79 -23.33 -23.91 -24.93 -24.96 -23.04 -22.00 -24.94 -22.20 -22.13 -22.08 -20.62 -22.97 -22.67 -22.92 -23.28 -23.60 -23.07 -23.54 -23.78 -24.28 -21.35 -23.66 -25.12 -25.20 -25.66 -27.84 351 (2Z)-3,4-dimethylpent-2-ene -20.46 -20.13 -20.06 -19.24 -17.83 -20.57 -20.22 -20.27 -19.05 -18.29 -19.74 -17.81 -18.24 -17.31 -16.39 -17.56 -17.35 -17.47 -17.96 -18.05 -17.38 -17.88 -18.21 -18.75 -17.07 -19.00 -19.73 -19.66 -21.18 -22.66 352 (2Z)-3,5-dimethylhex-2-ene -26.60 -27.04 -26.93 -26.06 -24.42 -25.77 -26.63 -26.67 -24.61 -23.79 -26.26 -24.06 -23.90 -23.74 -22.18 -24.17 -24.01 -24.23 -24.75 -24.99 -24.39 -24.80 -25.09 -25.60 -23.04 -25.16 -26.39 -26.51 -27.36 -29.19 353 (2Z)-3-ethyl-4-methylpent-2-ene -24.19 -24.22 -24.12 -23.27 -21.67 -22.53 -23.60 -23.62 -21.84 -20.64 -23.26 -20.84 -20.75 -20.78 -19.40 -21.49 -21.32 -21.55 -21.89 -21.96 -21.47 -22.01 -22.20 -22.76 -20.02 -22.18 -23.47 -23.62 -25.08 -27.39 354 (2Z)-3-ethylhex-2-ene -24.86 -24.34 -24.26 -23.55 -21.79 -24.78 -24.89 -24.95 -23.34 -22.57 -24.08 -22.55 -22.55 -22.00 -20.77 -22.01 -21.50 -21.70 -22.64 -22.80 -22.07 -22.44 -22.60 -23.19 -21.40 -23.32 -24.09 -24.03 -25.50 -28.26 355 (2Z)-3-methylhept-2-ene -25.17 -24.75 -24.62 -24.13 -22.22 -25.89 -25.91 -25.99 -24.31 -23.67 -24.65 -23.76 -23.64 -23.06 -21.79 -22.60 -22.18 -22.35 -23.47 -23.50 -22.73 -23.02 -23.23 -23.82 -22.47 -24.10 -24.59 -24.61 -26.47 -28.77 356 (2Z)-3-methylhex-2-ene -20.15 -19.63 -19.52 -18.96 -17.40 -21.14 -20.58 -20.64 -19.46 -18.78 -19.97 -18.23 -18.69 -17.66 -16.78 -17.76 -17.45 -17.57 -18.17 -18.40 -17.48 -17.89 -18.21 -18.80 -17.35 -19.08 -19.69 -19.51 -20.79 -22.89 357 (2Z)-4,5-dimethylhex-2-ene -24.33 -24.71 -24.49 -23.52 -21.94 -22.37 -23.16 -23.17 -21.28 -20.48 -23.14 -20.47 -20.62 -20.38 -18.94 -21.07 -21.17 -21.38 -21.81 -22.00 -21.59 -21.96 -22.40 -22.87 -19.93 -22.20 -23.50 -23.72 -22.68 -24.68 358 (2Z)-4-ethylhex-2-ene -23.85 -24.03 -23.88 -23.02 -21.38 -23.07 -23.42 -23.45 -21.76 -21.05 -23.22 -20.92 -21.10 -20.65 -19.37 -21.13 -20.84 -21.06 -21.81 -22.17 -21.47 -21.76 -22.11 -22.63 -20.16 -22.26 -23.35 -23.32 -21.83 -24.45 359 (2Z)-4-methylhept-2-ene -23.06 -23.72 -23.54 -22.84 -21.06 -23.69 -23.67 -23.73 -22.12 -21.57 -23.01 -21.41 -21.58 -20.92 -19.70 -20.89 -20.56 -20.75 -21.78 -21.95 -21.28 -21.52 -21.86 -22.41 -20.54 -22.42 -23.14 -23.15 -22.69 -24.82 360 (2Z)-4-methylhex-2-ene -18.09 -17.72 -17.50 -16.96 -15.33 -19.25 -18.17 -18.25 -17.25 -16.85 -17.49 -16.01 -16.74 -15.35 -14.62 -15.16 -14.99 -15.09 -15.95 -15.99 -15.25 -15.55 -16.00 -16.58 -15.42 -17.09 -17.41 -17.34 -17.46 -19.41 361 (2Z,4Z)-hexa-2,4-diene 11.33 13.07 13.78 14.49 15.95 5.33 9.89 9.88 9.18 9.47 11.01 12.60 9.96 14.18 13.54 14.72 15.44 15.48 15.18 15.22 16.64 16.13 15.26 14.35 13.14 11.99 12.72 13.23 10.90 9.91 362 (2Z)-5,5-dimethylhex-2-ene -25.91 -26.78 -26.56 -25.50 -23.97 -23.38 -24.47 -24.47 -22.36 -21.64 -24.75 -21.72 -21.87 -21.76 -20.14 -22.61 -23.16 -23.35 -23.47 -23.62 -23.37 -23.79 -24.28 -24.72 -21.36 -23.78 -25.28 -25.68 -24.74 -25.75 363 (2Z)-5-methylhex-2-ene -18.59 -18.79 -18.52 -18.09 -16.36 -20.22 -19.30 -19.37 -18.23 -17.88 -18.59 -17.15 -17.79 -16.50 -15.67 -16.27 -16.27 -16.36 -17.11 -17.20 -16.41 -16.69 -17.21 -17.77 -16.52 -18.13 -18.49 -18.44 -18.23 -19.90 364 (2Z)-6-methylhept-2-ene -23.06 -23.05 -22.77 -22.39 -20.36 -23.63 -23.54 -23.61 -21.94 -21.48 -22.46 -21.33 -21.50 -20.77 -19.51 -20.33 -20.21 -20.35 -21.53 -21.42 -20.79 -20.99 -21.37 -21.96 -20.45 -22.06 -22.52 -22.79 -23.01 -24.55 365 (2Z)-hept-2-ene -16.54 -15.79 -15.53 -15.41 -13.48 -19.06 -17.57 -17.67 -16.87 -16.54 -16.33 -15.59 -16.35 -14.76 -14.19 -14.07 -13.73 -13.80 -15.01 -14.98 -14.01 -14.21 -14.62 -15.29 -14.82 -16.09 -15.99 -15.91 -16.74 -18.60 366 (2Z)-oct-2-ene -21.39 -19.00 -18.76 -18.45 -16.28 -20.49 -20.19 -20.25 -18.77 -18.18 -19.22 -17.79 -18.14 -17.27 -16.16 -17.04 -16.56 -16.74 -18.04 -18.15 -17.27 -17.45 -17.72 -18.41 -16.87 -18.43 -18.95 -19.01 -21.07 -22.95 367 3,3,4-Trimethylpent-1-ene -22.39 -24.73 -24.40 -22.97 -21.76 -17.41 -19.33 -19.25 -17.20 -16.14 -20.89 -15.98 -16.56 -16.87 -15.26 -18.98 -20.33 -20.54 -19.74 -19.75 -20.19 -20.73 -21.42 -21.76 -16.69 -19.63 -21.90 -22.68 -17.87 -19.58 368 3,3-Dimethyl-1-butyne 24.62 25.26 25.34 26.86 27.67 25.38 29.55 29.61 29.13 28.16 28.49 32.00 28.40 32.25 31.83 32.06 27.98 28.02 29.13 29.65 29.68 29.56 28.01 27.60 29.07 26.61 26.76 26.89 28.76 30.18 369 3,3-Dimethylbut-1-ene -14.44 -14.80 -14.46 -13.68 -12.51 -13.91 -12.44 -12.44 -11.85 -11.77 -12.94 -10.19 -11.76 -9.92 -9.49 -10.40 -11.60 -11.60 -11.36 -11.18 -11.04 -11.53 -12.35 -12.79 -10.84 -12.83 -13.37 -13.48 -10.33 -11.21 370 3,3-Dimethylcyclopent-1-ene -5.04 -6.91 -6.53 -5.48 -4.24 -0.80 -4.37 -4.65 -2.73 -0.89 -2.71 -4.14 -1.07 -4.18 -2.68 -4.09 -2.59 -2.60 -4.58 -4.79 -5.88 -5.78 -5.43 -5.03 -2.25 -3.13 -3.97 -3.99 -8.41 -7.20 371 3,3-Dimethylhex-1-ene -22.47 -22.55 -22.23 -21.07 -19.62 -17.46 -18.64 -18.60 -16.71 -15.93 -19.66 -15.56 -16.23 -16.10 -14.63 -17.57 -18.63 -18.84 -18.58 -18.60 -18.74 -19.17 -19.79 -20.24 -16.02 -18.59 -20.38 -20.97 -17.75 -19.62 372 3,3-Dimethylhexane -52.58 -49.85 -50.00 -49.51 -48.63 -43.49 -47.12 -47.17 -44.18 -42.77 -47.38 -44.42 -43.24 -45.14 -42.78 -46.41 -46.91 -47.18 -47.10 -47.27 -47.39 -47.52 -47.83 -48.05 -43.43 -46.53 -48.74 -49.79 -44.96 -46.86 373 3,3-Dimethylpent-1-ene -17.50 -19.55 -19.24 -18.19 -16.96 -16.18 -16.17 -16.15 -14.90 -14.42 -17.05 -13.49 -14.57 -13.70 -12.73 -14.80 -15.95 -16.05 -15.71 -15.63 -15.66 -16.14 -16.85 -17.28 -14.06 -16.41 -17.67 -18.01 -13.78 -15.37 374 3,3-Dimethylpent-1-yne 19.91 20.35 20.41 22.11 22.98 22.80 25.51 25.59 25.79 25.20 24.15 28.38 25.26 28.17 28.28 27.44 23.41 23.37 24.51 25.04 24.83 24.72 23.27 22.90 25.54 22.74 22.22 22.13 25.30 26.07 375 3,3-Dimethylpentane -47.92 -47.71 -47.86 -47.48 -46.09 -43.02 -45.48 -45.56 -43.22 -42.11 -45.50 -43.25 -42.42 -43.64 -41.79 -44.44 -45.12 -45.26 -45.04 -45.04 -45.14 -45.36 -45.74 -45.97 -42.36 -45.22 -46.82 -47.68 -41.02 -42.67 376 3,4,4-Trimethylpent-1-ene -24.26 -25.40 -25.13 -23.67 -22.38 -18.65 -20.21 -20.14 -18.09 -17.25 -21.70 -17.00 -17.63 -17.69 -16.09 -19.59 -20.78 -20.98 -20.44 -20.55 -20.90 -21.36 -22.08 -22.40 -17.62 -20.53 -22.66 -23.38 -19.96 -21.25 377 3,4-Dimethylhex-1-ene -22.23 -22.51 -22.26 -21.25 -19.60 -18.99 -19.57 -19.55 -17.85 -17.27 -20.31 -16.75 -17.48 -17.00 -15.68 -18.10 -18.56 -18.77 -19.09 -19.20 -19.08 -19.39 -19.93 -20.42 -16.96 -19.29 -20.76 -21.21 -18.23 -20.38 378 3,4-Dimethylhexane -50.83 -48.69 -48.82 -48.51 -46.73 -43.39 -46.68 -46.75 -43.96 -42.59 -46.78 -44.12 -42.99 -44.73 -42.52 -45.84 -46.10 -46.38 -46.48 -46.70 -46.64 -46.78 -46.93 -47.30 -43.02 -45.91 -47.92 -48.86 -43.38 -45.51 379 3,4-Dimethylpent-1-ene -17.88 -18.08 -17.83 -16.94 -15.46 -16.38 -15.78 -15.78 -14.66 -14.38 -16.41 -13.26 -14.45 -13.20 -12.35 -13.96 -14.62 -14.72 -14.90 -14.97 -14.69 -15.05 -15.69 -16.19 -13.61 -15.72 -16.70 -16.88 -13.93 -15.62 380 3,4-Dimethylpent-1-yne 20.58 21.16 21.31 22.72 23.88 22.66 25.44 25.50 25.75 25.11 24.28 28.27 25.21 28.13 28.27 27.59 23.69 23.65 24.67 25.14 25.17 25.11 23.68 23.21 25.62 23.07 22.66 22.58 25.84 26.44 381 3,5-Dimethylhex-1-ene -23.16 -21.86 -21.61 -20.60 -18.90 -18.63 -19.17 -19.15 -17.33 -16.84 -19.93 -16.34 -17.05 -16.51 -15.12 -17.58 -18.15 -18.37 -18.69 -18.92 -18.65 -18.92 -19.46 -19.94 -16.46 -18.77 -20.28 -20.59 -18.63 -20.50 382 (3E)-2,2-dimethylhex-3-ene -25.95 -27.03 -26.89 -25.80 -24.32 -24.76 -25.21 -25.23 -23.44 -22.89 -24.94 -22.85 -23.03 -22.59 -21.22 -22.84 -23.36 -23.52 -23.94 -23.78 -23.66 -24.09 -24.53 -24.91 -22.39 -24.68 -25.66 -25.85 -24.20 -25.54 383 (3E)-2,3-dimethylhex-3-ene -26.63 -25.39 -25.36 -24.43 -22.83 -24.73 -25.22 -25.26 -23.52 -22.64 -24.60 -22.72 -22.69 -22.33 -21.00 -22.57 -22.18 -22.36 -23.18 -23.24 -22.67 -23.14 -23.33 -23.84 -21.72 -23.85 -24.82 -24.85 -25.96 -27.67 384 (3E)-2,4-dimethylhex-3-ene -25.93 -26.11 -26.08 -25.15 -23.55 -25.97 -26.20 -26.25 -24.52 -23.77 -25.38 -23.86 -23.80 -23.28 -21.96 -23.27 -22.80 -22.99 -23.94 -24.01 -23.43 -23.84 -24.06 -24.53 -22.73 -24.82 -25.63 -25.58 -26.92 -28.76 385 (3E)-2,5-dimethylhex-3-ene -26.74 -25.83 -25.70 -24.86 -23.12 -25.18 -25.21 -25.25 -23.54 -23.16 -24.55 -23.03 -23.22 -22.53 -21.24 -22.36 -22.58 -22.74 -23.56 -23.40 -23.02 -23.39 -23.75 -24.22 -22.34 -24.33 -24.99 -25.04 -23.23 -24.95 386 (3E)-2-methylhept-3-ene -23.47 -23.35 -23.17 -22.65 -20.69 -23.78 -23.63 -23.68 -22.15 -21.71 -22.75 -21.45 -21.73 -20.95 -19.80 -20.65 -20.65 -20.79 -21.81 -21.63 -21.08 -21.40 -21.69 -22.28 -20.69 -22.43 -22.93 -22.99 -23.00 -23.77 387 (3E)-2-methylhex-3-ene -19.69 -18.74 -18.55 -18.11 -16.40 -20.70 -19.45 -19.52 -18.61 -18.35 -18.51 -17.48 -18.23 -16.75 -16.08 -16.23 -16.38 -16.44 -17.24 -17.06 -16.40 -16.74 -17.20 -17.77 -16.91 -18.46 -18.53 -18.40 -17.32 -19.10 388 (3E)-2-methylpenta-1,3-diene 10.32 9.82 10.47 11.35 12.71 3.87 8.23 8.25 7.67 7.62 8.76 10.82 8.01 12.14 11.59 12.47 12.44 12.46 12.53 12.67 13.74 13.16 12.19 11.37 10.75 9.61 10.15 10.59 9.46 8.60 389 (3E)-3,4-dimethylhex-3-ene -25.62 -25.30 -25.18 -24.37 -22.82 -24.09 -25.18 -25.21 -23.31 -22.01 -24.66 -22.42 -22.10 -22.14 -20.68 -22.79 -22.46 -22.69 -22.98 -23.18 -22.63 -23.22 -23.29 -23.84 -21.19 -23.49 -24.80 -24.82 -27.85 -30.93 390 (3E)-3-methyl-1,3-pentadiene 15.70 14.23 14.85 15.77 16.97 8.77 13.01 13.03 12.48 12.53 13.42 15.75 12.93 16.92 16.41 17.09 17.01 17.01 16.70 16.77 17.85 17.23 16.33 15.51 15.34 14.35 14.76 15.27 11.00 9.45 391 (3E)-3-methylhept-3-ene -25.17 -23.73 -23.65 -23.04 -21.20 -24.62 -24.68 -24.74 -23.17 -22.40 -23.67 -22.35 -22.37 -21.78 -20.58 -21.63 -21.06 -21.22 -22.33 -22.37 -21.58 -21.97 -22.10 -22.71 -21.16 -23.01 -23.65 -23.61 -25.28 -27.41 392 (3E)-4-methylhept-3-ene -25.17 -23.97 -23.83 -23.43 -21.52 -25.07 -25.27 -25.35 -23.73 -22.93 -23.87 -23.06 -22.90 -22.48 -21.25 -22.03 -21.66 -21.83 -22.86 -22.72 -21.98 -22.34 -22.54 -23.16 -21.81 -23.40 -23.86 -23.92 -26.22 -27.47 393 (3E,5E)-octa-1,3,5,7-tetraene 55.93 51.02 52.66 54.77 56.28 39.15 47.06 47.35 45.39 45.81 48.06 51.54 46.44 54.22 52.56 54.28 56.18 56.19 57.09 57.07 58.75 58.06 56.44 55.06 52.44 50.55 51.64 52.21 53.83 52.72 394 (3E)-5-methylhept-3-ene -24.26 -23.23 -23.06 -22.49 -20.57 -23.39 -23.31 -23.36 -21.86 -21.34 -22.49 -21.08 -21.36 -20.65 -19.50 -20.44 -20.45 -20.60 -21.54 -21.36 -20.86 -21.17 -21.49 -22.06 -20.35 -22.14 -22.69 -22.78 -21.78 -24.11 395 (3E)-6-methylhept-3-ene -24.37 -24.74 -24.59 -24.03 -22.08 -25.41 -25.14 -25.19 -23.60 -23.25 -24.12 -23.06 -23.24 -22.41 -21.21 -21.94 -21.88 -22.02 -23.13 -23.12 -22.46 -22.69 -23.07 -23.61 -22.14 -23.87 -24.29 -24.28 -23.54 -25.50 396 (3E)-hept-3-ene -17.66 -16.78 -16.65 -16.36 -14.50 -20.37 -18.55 -18.64 -17.97 -17.80 -17.27 -16.73 -17.58 -15.78 -15.31 -14.93 -14.64 -14.68 -15.94 -15.83 -14.95 -15.16 -15.57 -16.20 -15.96 -17.29 -17.04 -16.78 -17.00 -19.04 397 (3E)-hexa-1,3,5-triene 41.23 38.50 39.70 41.11 42.41 28.68 36.22 36.40 34.27 34.10 36.51 39.63 34.72 41.67 39.91 41.76 42.50 42.55 43.17 43.13 44.51 43.99 42.40 41.30 39.29 38.02 39.18 39.74 41.17 40.01 398 (3E)-octa-3-ene -22.61 -22.54 -22.42 -22.07 -19.99 -24.71 -23.98 -24.06 -22.75 -22.41 -22.61 -22.05 -22.31 -21.26 -20.28 -20.49 -20.09 -20.23 -21.67 -21.68 -20.83 -20.98 -21.27 -21.89 -20.98 -22.44 -22.55 -22.41 -22.23 -24.71 399 3-Ethyl-2-methylpent-2-ene -25.22 -24.54 -24.42 -23.62 -22.03 -23.13 -24.39 -24.41 -22.48 -21.05 -23.97 -21.44 -21.17 -21.27 -19.78 -22.11 -21.75 -21.97 -22.23 -22.41 -21.84 -22.45 -22.53 -23.12 -20.27 -22.61 -24.05 -24.13 -27.74 -30.44 400 3-Ethyl-2-methylpentane -50.86 -49.56 -49.74 -49.39 -47.56 -44.44 -47.67 -47.75 -44.94 -43.60 -47.62 -45.21 -43.98 -45.70 -43.48 -46.67 -46.86 -47.13 -47.30 -47.50 -47.51 -47.60 -47.83 -48.15 -43.99 -46.85 -48.78 -49.71 -44.34 -46.49 401 3-Ethyl-3-methylpent-1-ene -21.44 -23.03 -22.71 -21.47 -20.14 -16.86 -18.43 -18.37 -16.50 -15.49 -19.85 -15.17 -15.84 -15.97 -14.51 -17.93 -19.10 -19.31 -18.70 -18.74 -18.98 -19.48 -20.08 -20.53 -15.78 -18.53 -20.62 -21.28 -16.84 -19.05 402 3-Ethyl-3-methylpent-1-yne 16.73 15.68 15.73 17.63 18.61 20.55 21.79 21.89 22.74 22.57 20.07 25.10 22.46 24.41 25.04 23.06 19.09 18.95 20.18 20.67 20.27 20.15 18.82 18.47 22.34 19.18 17.95 17.61 21.81 21.93 403 3-Ethyl-3-methylpentane -51.35 -49.32 -49.47 -48.93 -47.42 -42.01 -46.02 -46.06 -43.15 -41.45 -46.46 -43.14 -41.96 -44.13 -41.81 -45.75 -46.52 -46.79 -46.26 -46.36 -46.65 -46.84 -47.18 -47.43 -42.33 -45.53 -47.92 -49.12 -42.78 -44.37 404 3-Ethyl-4-methylpent-1-ene -22.44 -22.62 -22.39 -21.32 -19.71 -19.10 -19.64 -19.63 -17.92 -17.38 -20.41 -16.86 -17.58 -17.08 -15.77 -18.18 -18.64 -18.86 -19.17 -19.31 -19.17 -19.49 -20.01 -20.51 -17.05 -19.40 -20.87 -21.28 -18.33 -20.53 405 3-Ethylcyclopent-1-ene -1.94 -3.89 -3.44 -2.99 -1.28 -0.10 -3.18 -3.51 -1.85 -0.05 -0.84 -3.13 -0.12 -3.00 -1.72 -2.34 -0.58 -0.58 -2.97 -3.11 -3.81 -3.57 -3.17 -2.96 -1.00 -1.34 -1.68 -1.68 -5.70 -5.46 406 3-Ethylhex-1-ene -20.41 -19.59 -19.36 -18.60 -16.71 -17.98 -18.03 -18.04 -16.50 -16.02 -18.24 -15.41 -16.13 -15.36 -14.18 -15.97 -16.16 -16.37 -17.08 -17.27 -16.87 -17.07 -17.57 -18.16 -15.33 -17.33 -18.41 -18.63 -17.69 -19.79 407 3-Ethylhex-3-ene -24.86 -22.41 -22.34 -21.62 -19.87 -22.89 -22.93 -22.97 -21.48 -20.60 -22.26 -20.42 -20.58 -19.94 -18.79 -20.15 -19.54 -19.74 -20.69 -20.88 -20.12 -20.55 -20.63 -21.26 -19.35 -21.39 -22.23 -22.10 -24.58 -27.10 408 3-Ethylhexane -50.36 -46.67 -46.82 -46.78 -44.70 -43.15 -45.97 -46.07 -43.37 -42.16 -45.51 -43.61 -42.49 -43.94 -41.82 -44.49 -44.60 -44.86 -45.37 -45.50 -45.27 -45.30 -45.44 -45.89 -42.27 -44.82 -46.42 -47.20 -43.57 -45.75 409 3-Ethylpent-1-ene -15.32 -16.66 -16.41 -15.76 -14.15 -16.73 -15.61 -15.64 -14.76 -14.54 -15.62 -13.35 -14.50 -13.00 -12.35 -13.23 -13.49 -13.59 -14.23 -14.29 -13.77 -14.04 -14.63 -15.20 -13.40 -15.20 -15.73 -15.77 -13.43 -15.74 410 3-Ethylpent-1-yne 23.14 23.27 23.41 24.50 25.90 22.89 26.25 26.28 26.25 25.55 25.67 28.84 25.75 28.97 28.89 28.95 25.46 25.42 25.97 26.45 26.72 26.77 25.39 24.82 26.44 24.23 24.28 24.29 26.47 26.63 411 3-Ethylpent-2-ene -19.89 -17.50 -17.38 -16.80 -15.24 -19.19 -18.40 -18.47 -17.42 -16.72 -17.76 -16.00 -16.60 -15.40 -14.62 -15.48 -15.19 -15.31 -15.97 -16.10 -15.24 -15.69 -15.94 -16.57 -15.19 -16.96 -17.50 -17.28 -19.84 -22.32 412 3-Methylbut-1-ene -6.60 -7.04 -6.78 -6.38 -5.09 -10.69 -7.17 -7.23 -7.60 -7.92 -6.99 -5.45 -7.60 -4.51 -4.84 -4.14 -4.65 -4.60 -4.94 -4.93 -4.21 -4.50 -5.39 -5.94 -5.86 -7.19 -6.75 -6.40 -4.64 -6.08 413 3-Methylbut-1-yne 32.60 33.22 33.36 34.31 35.30 29.53 35.26 35.27 33.96 32.77 34.76 37.37 33.25 38.05 36.95 38.48 34.77 34.85 35.78 36.18 36.73 36.76 35.08 34.51 34.56 32.79 33.72 34.12 35.51 36.33 414 3-Methylpent-1-yne 27.94 28.57 28.72 29.71 30.93 26.43 31.00 31.02 30.36 29.38 30.50 33.34 29.72 33.76 33.18 34.02 30.38 30.42 31.12 31.58 32.01 32.06 30.53 29.95 30.73 28.79 29.31 29.47 31.11 31.67 415 (3R)-3-methyl-1-(propan-2-yl)cyclopent-1-ene -14.63 -19.10 -18.95 -17.51 -15.99 -10.94 -16.53 -16.81 -13.68 -11.45 -14.76 -16.07 -11.81 -16.32 -13.87 -16.48 -14.27 -14.48 -16.99 -17.40 -18.46 -18.34 -17.50 -17.06 -13.32 -14.61 -16.21 -16.32 -21.06 -20.68 416 3-Methyl-4-methylidenehexane -23.61 -23.84 -23.73 -22.57 -21.01 -20.64 -21.36 -21.35 -19.55 -18.87 -22.26 -18.49 -19.07 -18.68 -17.29 -19.99 -20.33 -20.56 -20.77 -21.07 -20.74 -21.22 -21.50 -22.06 -18.46 -20.86 -22.53 -22.71 -21.96 -24.40 417 3-Methylcyclopentane 1.77 1.34 1.81 2.13 3.62 3.37 1.41 1.07 2.09 3.73 3.86 1.27 3.80 1.67 2.44 2.55 4.32 4.39 2.12 1.97 1.41 1.62 1.87 2.09 3.26 3.11 3.21 3.44 -1.17 -0.54 418 3-Methylenepent-1-ene 17.66 15.29 15.92 17.01 18.24 11.08 15.73 15.80 14.96 14.64 15.23 18.44 15.00 19.37 18.65 19.08 18.67 18.68 18.47 18.49 19.32 18.72 17.76 16.94 17.26 16.11 16.38 16.86 15.06 13.55 419 3-Methylhept-1-ene -21.58 -20.32 -20.07 -19.45 -17.47 -19.30 -19.05 -19.07 -17.67 -17.37 -19.06 -16.66 -17.44 -16.49 -15.42 -16.79 -16.92 -17.10 -18.06 -18.06 -17.67 -17.88 -18.28 -18.89 -16.59 -18.44 -19.26 -19.59 -17.63 -19.80 420 3-Methylhex-1-ene -15.94 -14.39 -14.11 -13.59 -11.82 -14.82 -13.58 -13.61 -12.70 -12.55 -13.54 -11.24 -12.52 -10.89 -10.21 -11.01 -11.49 -11.57 -12.25 -12.22 -11.71 -11.95 -12.56 -13.16 -11.40 -13.08 -13.55 -13.69 -13.02 -14.63 421 3-Methylhex-1-yne 23.06 23.50 23.65 24.73 26.13 22.95 26.43 26.46 26.38 25.61 25.85 28.95 25.83 29.12 28.99 29.14 25.62 25.58 26.12 26.56 26.87 26.93 25.58 25.00 26.53 24.38 24.48 24.49 26.63 26.98 422 3-Methylideneheptane -23.18 -22.31 -22.18 -21.43 -19.56 -21.74 -21.65 -21.67 -20.15 -19.72 -21.53 -19.25 -19.77 -18.97 -17.80 -19.26 -19.34 -19.53 -20.35 -20.47 -19.92 -20.24 -20.50 -21.11 -18.81 -20.70 -21.58 -21.66 -22.27 -24.40 423 3-Methylpenta-1,2-diene 26.59 25.64 26.02 27.23 28.07 18.17 22.61 22.57 22.15 22.43 23.83 25.35 22.94 26.96 26.54 27.59 26.80 26.81 26.91 26.77 27.99 27.78 26.45 25.86 25.45 24.91 25.54 26.21 17.38 15.86 424 3-Methylpenta-1,4-diene 19.02 18.08 18.86 19.86 21.29 15.25 19.87 19.94 19.12 18.50 18.99 22.48 18.79 23.13 22.41 22.78 21.83 21.84 21.51 21.65 22.23 21.74 20.59 19.83 20.56 19.63 19.85 20.27 18.55 17.07 425 Non-3-yne 10.33 11.50 11.53 12.39 14.33 8.71 10.87 10.80 11.49 11.33 12.44 13.04 11.58 13.67 14.17 14.96 12.67 12.59 11.88 12.49 13.29 13.54 12.79 12.15 12.52 10.77 11.30 11.32 11.52 11.51 426 (3S)-3-ethyl-1,1-dimethylcyclopentane -41.52 -45.54 -45.70 -44.64 -43.12 -33.06 -41.46 -41.75 -37.31 -34.75 -39.89 -41.12 -35.44 -42.07 -38.53 -42.56 -41.01 -41.27 -43.14 -43.52 -45.32 -44.90 -44.14 -43.45 -37.98 -39.95 -42.37 -43.45 -44.86 -44.00 427 (3R,4R)-3,4-dimethylcyclopent-1-ene -1.12 -4.89 -4.43 -3.66 -2.19 0.61 -2.94 -3.25 -1.44 0.50 -1.16 -2.72 0.35 -2.79 -1.39 -2.68 -1.12 -1.14 -3.11 -3.36 -4.25 -4.10 -3.70 -3.40 -0.75 -1.43 -2.20 -2.23 -5.66 -4.85 428 (3R,4S)-3,4-dimethylcyclopent-1-ene -2.80 -5.70 -5.24 -4.44 -2.95 -0.59 -3.94 -4.24 -2.44 -0.58 -2.05 -3.76 -0.70 -3.70 -2.32 -3.46 -1.71 -1.72 -3.84 -4.09 -5.03 -4.85 -4.49 -4.16 -1.71 -2.39 -3.08 -3.03 -7.59 -6.82 429 (3S,5S)-3,5-dimethylcyclopent-1-ene -3.99 -5.43 -5.00 -4.29 -2.79 -0.99 -4.08 -4.38 -2.66 -0.91 -2.01 -4.02 -1.00 -3.84 -2.50 -3.36 -1.51 -1.51 -3.86 -4.09 -4.92 -4.75 -4.33 -4.02 -1.90 -2.51 -3.02 -2.91 -7.38 -6.45 430 (3R,5S)-3,5-dimethylcyclopent-1-ene -4.47 -5.80 -5.38 -4.74 -3.17 -1.63 -4.73 -5.04 -3.23 -1.56 -2.48 -4.77 -1.65 -4.49 -3.10 -3.82 -1.94 -1.94 -4.40 -4.59 -5.39 -5.19 -4.82 -4.51 -2.54 -3.05 -3.47 -3.37 -7.41 -6.54 431 (3Z)-1,3,5-hexatriene 42.54 40.06 41.31 42.63 43.99 30.74 38.14 38.32 36.16 36.08 38.17 41.69 36.68 43.56 41.78 43.38 44.15 44.20 44.80 44.79 46.10 45.52 44.01 42.88 41.15 39.81 40.81 41.32 42.10 41.15 432 (3Z)-1,3-hexadiene 18.04 14.61 15.35 16.12 17.56 7.78 12.82 12.86 11.81 11.81 13.34 15.46 12.27 16.88 15.98 17.15 17.65 17.67 17.41 17.41 18.56 18.15 17.13 16.24 15.33 14.11 14.83 15.28 14.91 13.48 433 (3Z)-2,3-dimethylhex-3-ene -26.63 -25.07 -25.04 -24.09 -22.51 -24.22 -24.74 -24.77 -23.08 -22.13 -24.26 -22.20 -22.19 -21.83 -20.54 -22.26 -21.77 -21.98 -22.71 -22.87 -22.31 -22.78 -22.95 -23.47 -21.21 -23.42 -24.48 -24.49 -25.86 -27.72 434 (3Z)-2,4-dimethylhex-3-ene -25.93 -26.22 -26.17 -25.22 -23.64 -25.77 -26.05 -26.08 -24.35 -23.60 -25.43 -23.67 -23.64 -23.13 -21.81 -23.29 -22.85 -23.06 -23.90 -24.07 -23.47 -23.91 -24.08 -24.59 -22.59 -24.76 -25.68 -25.61 -26.93 -28.99 435 (3Z)-2,5-dimethylhex-3-ene -24.83 -22.27 -22.05 -21.03 -19.40 -20.41 -20.67 -20.66 -18.91 -18.31 -20.97 -17.91 -18.44 -17.73 -16.39 -18.52 -18.56 -18.77 -19.43 -19.69 -19.14 -19.61 -19.80 -20.39 -17.53 -19.89 -21.20 -21.26 -21.93 -23.32 436 (3Z)-2-methylhept-3-ene -24.67 -18.73 -18.39 -17.89 -15.94 -18.55 -18.65 -18.67 -17.09 -16.40 -18.23 -16.06 -16.46 -15.74 -14.53 -16.02 -15.87 -16.06 -16.93 -16.99 -16.30 -16.64 -16.87 -17.52 -15.35 -17.35 -18.25 -18.36 -22.30 -20.49 437 (3Z)-2-methylhex-3-ene -18.45 -17.89 -17.70 -17.20 -15.54 -20.01 -18.62 -18.68 -17.87 -17.51 -17.80 -16.59 -17.37 -15.77 -15.18 -15.44 -15.08 -15.17 -16.17 -16.23 -15.47 -15.79 -16.19 -16.76 -15.91 -17.62 -17.77 -17.56 -17.74 -19.31 438 (3Z)-2-methylpenta-1,3-diene 15.70 14.32 15.09 15.94 17.25 8.62 12.78 12.82 12.25 12.46 13.17 15.70 12.83 16.89 16.37 16.90 17.14 17.16 17.15 17.24 18.38 17.77 16.85 15.97 15.64 14.36 14.68 15.04 12.92 12.70 439 (3Z)-3,4-dimethylhex-3-ene -25.62 -25.21 -25.05 -24.31 -22.73 -23.95 -25.07 -25.10 -23.21 -21.88 -24.54 -22.26 -21.98 -22.04 -20.58 -22.69 -22.35 -22.57 -22.90 -23.04 -22.52 -23.10 -23.17 -23.74 -21.09 -23.38 -24.69 -24.75 -27.91 -30.97 440 (3Z)-3-methylhept-3-ene -25.17 -24.35 -24.23 -23.72 -21.82 -25.49 -25.44 -25.50 -23.95 -23.22 -24.29 -23.21 -23.18 -22.53 -21.35 -22.25 -21.63 -21.81 -22.94 -23.03 -22.24 -22.58 -22.73 -23.32 -21.93 -23.73 -24.28 -24.20 -25.97 -28.39 441 (3Z)-3-methylpenta-1,3-diene 15.70 14.25 14.88 15.87 17.00 9.26 13.42 13.44 12.90 12.96 13.55 16.21 13.34 17.29 16.78 17.23 17.02 17.03 16.88 16.91 17.95 17.28 16.40 15.57 15.69 14.60 14.86 15.39 11.05 9.45 442 (3Z)-4-methylhept-3-ene -25.17 -20.47 -20.28 -19.85 -18.00 -21.36 -21.58 -21.65 -19.99 -19.12 -20.33 -19.18 -19.12 -18.63 -17.37 -18.36 -17.92 -18.12 -19.15 -19.07 -18.35 -18.65 -18.90 -19.52 -17.96 -19.65 -20.25 -20.36 -26.05 -28.56 443 (3Z)-5-methylhept-3-ene -23.06 -22.51 -22.31 -21.71 -19.86 -22.89 -22.66 -22.71 -21.26 -20.68 -21.92 -20.38 -20.67 -19.84 -18.75 -19.77 -19.33 -19.50 -20.66 -20.74 -20.06 -20.35 -20.61 -21.19 -19.53 -21.44 -22.06 -22.07 -22.08 -24.08 444 (3Z)-6-methylhept-3-ene -21.39 -23.57 -23.33 -22.80 -20.86 -23.84 -23.75 -23.80 -22.22 -21.69 -23.00 -21.49 -21.70 -20.96 -19.77 -20.85 -20.56 -20.72 -21.78 -21.89 -21.19 -21.47 -21.78 -22.36 -20.61 -22.47 -23.12 -23.15 -22.77 -24.48 445 (3Z)-hept-3-ene -16.42 -15.43 -15.21 -15.00 -13.10 -18.63 -17.05 -17.12 -16.47 -16.08 -16.00 -15.01 -15.88 -14.20 -13.74 -13.73 -13.21 -13.28 -14.46 -14.50 -13.55 -13.81 -14.15 -14.83 -14.27 -15.73 -15.71 -15.50 -16.64 -18.29 446 (3Z)-oct-3-ene -21.39 -21.33 -21.12 -20.81 -18.76 -23.14 -22.60 -22.66 -21.37 -20.85 -21.45 -20.48 -20.77 -19.81 -18.84 -19.37 -18.78 -18.93 -20.33 -20.44 -19.52 -19.72 -19.95 -20.61 -19.44 -21.03 -21.34 -21.26 -21.46 -23.93 447 4,4-dimethylcyclopent-1-ene -1.70 -7.19 -6.74 -5.76 -4.45 -0.67 -4.54 -4.83 -2.80 -0.87 -2.86 -4.27 -1.08 -4.39 -2.82 -4.36 -2.95 -2.95 -4.78 -4.97 -6.13 -6.01 -5.74 -5.35 -2.38 -3.15 -4.07 -4.24 -8.91 -7.49 448 4,4-dimethylhex-1-ene -23.23 -24.16 -23.88 -22.74 -21.21 -19.08 -20.23 -20.19 -18.25 -17.58 -21.22 -17.26 -17.88 -17.72 -16.22 -19.10 -20.08 -20.27 -20.12 -20.17 -20.28 -20.64 -21.31 -21.74 -17.66 -20.17 -21.91 -22.61 -19.64 -20.92 449 4,4-dimethylpent-1-ene -19.36 -20.37 -20.08 -19.14 -17.73 -17.67 -17.37 -17.36 -16.04 -15.80 -18.04 -14.86 -15.93 -14.85 -13.85 -15.61 -16.69 -16.77 -16.67 -16.66 -16.59 -16.97 -17.75 -18.18 -15.30 -17.52 -18.59 -18.95 -16.56 -17.17 450 4,4-dimethylpent-1-yne 19.53 18.62 18.80 20.26 21.41 21.21 23.57 23.64 24.20 23.52 22.35 26.39 23.54 26.20 26.58 25.65 21.27 21.25 22.62 23.09 23.00 22.90 21.34 20.90 23.69 21.08 20.52 20.24 22.79 24.49 451 4,4-dimethylpent-2-yne 15.20 16.12 16.06 17.76 18.33 15.17 18.29 18.28 18.31 17.93 18.42 20.60 18.19 21.11 21.09 21.44 18.17 18.15 18.84 19.35 19.71 19.67 18.48 18.18 19.03 16.63 16.84 17.14 18.13 19.24 452 4,5-dimethylhex-1-ene -22.23 -22.81 -22.49 -21.62 -19.86 -19.46 -20.11 -20.10 -18.28 -17.77 -20.64 -17.34 -17.98 -17.54 -16.15 -18.44 -19.06 -19.25 -19.57 -19.65 -19.49 -19.75 -20.34 -20.86 -17.50 -19.66 -21.04 -21.62 -18.89 -20.61 453 (4E)-hexa-1,4-diene 17.18 17.32 18.02 18.74 20.36 12.02 16.76 16.76 16.02 15.50 16.96 19.15 15.92 20.17 19.49 20.60 19.99 20.01 19.36 19.51 20.51 20.12 19.04 18.23 17.99 17.55 18.24 18.78 14.69 13.48 454 (4E)-oct-4-ene -22.61 -21.36 -21.23 -20.87 -18.74 -23.47 -22.73 -22.81 -21.53 -21.18 -21.47 -20.71 -21.09 -19.99 -19.03 -19.31 -18.91 -19.01 -20.50 -20.36 -19.57 -19.80 -20.00 -20.68 -19.75 -21.26 -21.40 -21.35 -21.53 -23.65 455 4-Ethylcyclopent-1-ene -0.22 -3.47 -2.96 -2.51 -0.79 0.58 -2.68 -3.00 -1.30 0.63 -0.36 -2.46 0.55 -2.43 -1.12 -1.90 -0.12 -0.13 -2.44 -2.58 -3.33 -3.07 -2.72 -2.51 -0.38 -0.70 -1.14 -1.25 -5.94 -5.61 456 4-Ethylhex-1-ene -20.77 -19.11 -18.81 -18.26 -16.19 -17.46 -17.60 -17.60 -16.04 -15.56 -17.65 -14.95 -15.70 -14.93 -13.74 -15.42 -15.73 -15.92 -16.63 -16.60 -16.31 -16.50 -17.05 -17.69 -14.95 -16.81 -17.81 -18.32 -17.77 -19.41 457 4-Methylpent-1-yne 27.13 27.16 27.37 28.25 29.60 25.18 29.52 29.53 29.11 28.07 29.10 31.83 28.38 32.26 31.85 32.62 28.77 28.81 29.65 30.11 30.55 30.62 29.01 28.43 29.30 27.44 27.93 28.02 29.76 30.74 458 4-Methyleneheptane -22.18 -23.36 -23.33 -22.55 -20.79 -22.94 -22.87 -22.90 -21.41 -20.93 -22.70 -20.50 -20.97 -20.21 -19.08 -20.52 -20.26 -20.44 -21.40 -21.56 -20.96 -21.28 -21.54 -22.14 -19.97 -21.90 -22.77 -22.85 -22.56 -24.63 459 4-Methylhex-1-ene -15.94 -16.92 -16.61 -16.13 -14.37 -17.14 -16.10 -16.13 -15.14 -14.97 -15.93 -13.86 -14.95 -13.48 -12.76 -13.54 -13.93 -14.01 -14.66 -14.65 -14.14 -14.35 -15.02 -15.60 -13.88 -15.53 -15.98 -16.16 -14.23 -15.99 460 4-Methylhex-1-yne 22.44 22.72 22.94 23.91 25.45 22.43 25.59 25.62 25.81 25.03 25.13 28.16 25.20 28.31 28.39 28.43 24.74 24.71 25.34 25.81 26.13 26.22 24.76 24.15 25.81 23.77 23.81 23.63 25.45 26.08 461 4-Methylhex-2-yne 18.40 19.51 18.97 20.65 21.73 16.21 19.75 19.69 19.53 19.14 20.46 21.93 19.51 22.62 22.45 23.43 20.58 20.57 20.84 21.32 22.09 22.19 21.05 20.56 20.69 18.83 19.43 19.76 20.56 20.84 462 4-Methylpent-1-ene -12.25 -12.51 -12.20 -11.80 -10.24 -14.41 -12.17 -12.22 -11.85 -11.96 -11.98 -10.21 -11.80 -9.56 -9.32 -9.36 -9.90 -9.90 -10.35 -10.34 -9.73 -9.97 -10.78 -11.33 -10.42 -11.88 -11.89 -11.80 -9.95 -11.30 463 4-Methylpent-2-yne 23.30 24.16 24.18 25.24 26.08 19.27 23.97 23.90 23.10 22.50 24.69 25.92 23.00 26.87 26.19 27.86 24.95 24.98 25.47 25.90 26.79 26.88 25.59 25.11 24.49 22.80 23.82 24.39 24.98 25.46 464 4-Methylpenta-1,3-diene 15.70 10.50 11.13 12.05 13.40 3.99 8.37 8.39 7.85 7.97 9.13 11.05 8.39 12.55 12.04 12.92 13.30 13.32 13.31 13.35 14.51 13.96 12.98 12.15 11.35 10.07 10.62 11.03 9.07 8.46 465 (4R)-4-methylhept-1-ene -20.90 -19.78 -19.48 -18.90 -16.88 -18.32 -18.43 -18.44 -16.80 -16.39 -18.40 -15.83 -16.52 -15.77 -14.52 -16.14 -16.56 -16.74 -17.47 -17.51 -17.12 -17.29 -17.86 -18.46 -15.77 -17.58 -18.55 -18.97 -18.51 -20.03 466 (4Z)-hexa-1,4-diene 18.04 18.72 19.48 20.07 21.75 13.07 17.98 17.98 17.17 16.70 18.21 20.40 17.14 21.54 20.80 21.93 21.66 21.67 20.79 20.88 21.92 21.58 20.53 19.69 19.32 18.81 19.51 19.99 14.93 13.79 467 (4Z)-oct-4-ene -21.39 -20.05 -19.83 -19.52 -17.35 -21.64 -21.16 -21.21 -19.96 -19.36 -20.22 -18.89 -19.30 -18.33 -17.38 -18.10 -17.48 -17.62 -18.98 -19.04 -18.18 -18.45 -18.59 -19.30 -17.97 -19.65 -20.07 -20.05 -21.21 -22.82 468 5,5-Dimethylhept-3-yne 11.80 7.52 7.44 9.31 10.28 9.68 10.70 10.72 11.76 11.93 10.66 13.52 11.94 13.49 14.28 13.24 10.39 10.22 10.52 11.03 11.11 11.07 10.24 9.93 12.28 9.35 8.70 8.68 10.58 11.04 469 5,5-Dimethylhex-1-ene -24.09 -22.74 -22.43 -21.48 -19.76 -18.55 -19.37 -19.34 -17.37 -16.89 -20.04 -16.49 -17.18 -16.76 -15.25 -17.73 -18.77 -18.94 -19.07 -19.00 -19.07 -19.38 -20.06 -20.55 -16.86 -19.17 -20.66 -21.43 -20.44 -20.91 470 5-Methylhept-1-ene -20.84 -19.28 -18.95 -18.48 -16.35 -17.92 -17.98 -17.99 -16.36 -16.00 -17.90 -15.38 -16.13 -15.32 -14.08 -15.61 -16.11 -16.28 -17.03 -16.94 -16.60 -16.79 -17.34 -17.99 -15.38 -17.15 -18.05 -18.60 -18.15 -19.58 471 5-Methylhex-1-yne 22.47 24.04 24.29 25.27 26.82 23.70 26.86 26.89 27.16 26.37 26.33 29.56 26.53 29.69 29.81 29.73 25.97 25.94 26.55 27.01 27.38 27.48 26.02 25.42 27.18 25.13 25.10 24.97 25.92 26.61 472 5-Methylhex-2-yne 17.69 18.14 18.26 19.23 20.41 14.97 18.28 18.21 18.27 17.84 19.06 20.42 18.18 21.13 21.11 22.02 18.99 18.98 19.39 19.85 20.65 20.76 19.56 19.05 19.27 17.50 18.06 18.32 19.48 20.00 473 6-Methylhept-1-ene -22.06 -19.27 -18.94 -18.47 -16.32 -18.22 -18.15 -18.16 -16.54 -16.25 -17.99 -15.61 -16.37 -15.47 -14.25 -15.65 -16.12 -16.28 -17.15 -17.07 -16.69 -16.86 -17.40 -18.04 -15.58 -17.31 -18.13 -18.63 -18.48 -19.75 474 7-Methyloct-3-yne 11.80 10.35 10.46 11.65 13.21 9.74 11.14 11.12 12.24 12.24 11.93 13.77 12.35 14.09 14.91 14.59 12.05 11.90 11.71 12.18 12.75 12.91 12.05 11.54 13.04 10.83 10.65 10.64 11.26 11.00 475 9H-fluorene 44.67 41.29 43.28 48.46 46.14 50.56 41.56 41.52 44.00 47.71 43.66 39.72 47.20 40.02 42.12 39.00 48.02 47.87 43.58 42.63 40.69 40.07 42.79 43.67 45.22 45.10 43.14 44.14 47.76 49.02 476 Acenaphthene 37.16 34.35 35.95 40.51 39.16 44.01 34.22 34.09 37.07 41.14 37.03 32.39 40.65 32.60 35.08 31.93 40.93 40.81 36.86 35.85 33.71 33.31 36.19 37.27 38.72 38.29 36.30 37.22 36.95 38.51 477 Anthracene 55.00 50.44 52.95 58.77 56.43 57.80 50.18 50.51 52.85 56.19 51.13 49.97 55.65 50.56 52.59 48.70 58.80 58.62 56.31 55.50 53.82 52.32 55.55 55.86 55.99 53.93 51.49 52.63 59.49 60.38 478 Bicyclo[2.2.1]heptane -12.96 -13.58 -13.47 -12.87 -11.91 -0.43 -10.85 -11.54 -8.73 -3.63 -6.27 -13.08 -4.08 -13.91 -11.62 -13.62 -9.45 -9.40 -12.68 -13.00 -15.90 -14.98 -13.69 -12.30 -7.89 -8.25 -9.41 -10.00 -10.59 -9.28 479 (Butan-2-yl)cyclopentane -41.56 -39.40 -39.47 -38.77 -36.94 -27.41 -35.93 -36.21 -32.19 -29.04 -34.49 -35.03 -29.71 -36.40 -33.18 -37.46 -35.67 -35.96 -37.69 -38.13 -39.66 -39.24 -38.38 -37.92 -32.12 -34.04 -36.62 -37.87 -39.21 -39.26 480 Butylbenzene -3.14 -4.68 -3.79 -1.81 -1.28 -3.13 -5.30 -5.25 -3.78 -2.75 -4.39 -4.58 -2.91 -4.12 -2.89 -4.18 -1.16 -1.30 -3.45 -3.72 -3.74 -4.23 -3.50 -3.78 -2.65 -3.79 -4.55 -4.28 -0.08 -1.91 481 Butylcyclopentane -40.22 -38.31 -38.43 -38.05 -36.04 -29.06 -36.74 -37.06 -33.22 -30.41 -34.48 -36.28 -30.94 -37.18 -34.11 -37.32 -35.09 -35.34 -37.83 -38.23 -39.39 -38.89 -37.88 -37.53 -32.96 -34.40 -36.31 -37.30 -39.66 -39.90 482 cis-1,2-dimethylcyclobutane -3.70 -7.65 -7.71 -7.44 -5.98 -5.15 -8.77 -9.32 -7.81 -4.73 -5.38 -8.80 -4.70 -8.36 -7.19 -7.69 -6.10 -6.07 -8.55 -8.68 -8.77 -8.28 -7.94 -7.53 -5.36 -6.15 -6.43 -6.74 -16.45 -14.08 483 cis-1,3-dimethylcyclobutane -8.65 -8.95 -9.05 -8.79 -7.34 -7.48 -10.80 -11.39 -9.87 -6.92 -6.89 -11.19 -6.83 -10.36 -9.21 -9.19 -7.20 -7.17 -10.05 -10.20 -10.18 -9.57 -9.31 -8.86 -7.31 -7.96 -7.92 -8.10 -17.91 -15.33 484 (3Z)-penta-1,3-diene 19.62 19.35 20.10 20.79 22.06 11.44 17.29 17.31 15.83 15.65 17.71 19.83 16.20 21.37 20.12 21.71 21.94 22.01 22.08 22.06 23.32 22.90 21.68 20.80 19.45 18.46 19.44 19.99 19.50 18.42 485 (2Z)-but-2-ene -1.73 -1.47 -1.18 -1.21 -0.00 -8.33 -3.99 -4.13 -4.98 -5.13 -3.10 -2.38 -4.60 -1.10 -1.84 -0.28 -0.41 -0.33 -0.61 -0.68 0.55 0.28 -0.66 -1.27 -2.35 -3.18 -2.23 -1.62 -2.53 -3.89 486 cis-decalin -41.99 -41.51 -41.53 -40.14 -38.55 -21.20 -35.33 -35.63 -29.11 -26.23 -33.94 -36.35 -27.39 -38.89 -33.68 -39.68 -37.11 -37.43 -40.42 -40.69 -44.04 -43.12 -40.79 -39.57 -32.70 -33.27 -36.88 -38.78 -40.31 -38.38 487 Cyclohexene -1.15 -1.14 -0.66 -0.38 1.14 0.93 -1.21 -1.42 0.07 0.88 0.54 -1.21 0.88 -1.18 -0.04 -0.28 0.80 0.87 -1.08 -1.01 -1.56 -1.48 -0.84 -0.78 0.12 0.39 0.28 0.35 -4.02 -3.36 488 Cyclopentene 7.91 8.44 8.94 8.92 10.35 8.32 7.51 7.15 7.38 8.99 10.13 7.28 9.22 7.79 7.95 8.86 10.57 10.67 8.61 8.44 8.14 8.37 8.50 8.63 9.03 9.23 9.82 10.20 5.08 5.38 489 Decane -59.62 -60.16 -60.44 failed -57.86 -58.65 -61.85 -62.03 -58.64 -57.82 -59.09 -60.62 -58.08 -60.19 -57.53 -58.56 -57.91 -58.11 -60.47 -60.14 -59.74 -59.56 -59.21 -59.75 -57.86 -59.75 -60.28 -61.10 -56.05 -58.76 490 Dodecane -69.48 -70.35 -70.63 failed -67.42 -66.60 -71.68 -71.85 -67.29 -66.26 -68.46 -70.33 -66.74 -70.13 -66.54 -68.32 -67.49 -67.79 -70.80 -70.34 -70.12 -69.84 -69.21 -69.77 -67.02 -69.03 -69.99 -71.22 -66.05 -68.96 491 (3E)-hexa-1,3-diene 13.40 13.29 13.95 14.77 16.20 6.09 11.29 11.32 10.30 10.13 12.02 13.75 10.61 15.30 14.43 15.87 16.20 16.24 15.94 15.97 17.11 16.77 15.67 14.83 13.69 12.58 13.49 13.99 14.17 12.62 492 (2E)-but-2-ene -2.67 -2.69 -2.50 -2.41 -1.25 -9.69 -5.17 -5.31 -6.18 -6.48 -4.19 -3.72 -5.94 -2.34 -3.09 -1.33 -1.59 -1.51 -1.78 -1.82 -0.64 -0.88 -1.86 -2.44 -3.68 -4.47 -3.38 -2.71 -3.46 -5.08 493 (2E)-3-methylpent-2-ene -15.09 -14.21 -14.07 -13.71 -12.29 -17.94 -16.06 -16.16 -15.65 -15.24 -14.98 -14.06 -14.98 -13.12 -12.77 -12.59 -12.39 -12.41 -13.04 -13.02 -12.06 -12.46 -12.96 -13.53 -13.30 -14.66 -14.55 -14.24 -16.14 -18.05 494 (2E)-4-methylpent-2-ene -14.48 -14.42 -14.29 -13.78 -12.35 -17.95 -15.50 -15.60 -15.22 -15.26 -14.58 -13.78 -14.99 -12.73 -12.48 -11.98 -12.14 -12.15 -12.86 -12.80 -11.98 -12.28 -12.92 -13.46 -13.35 -14.72 -14.40 -14.03 -13.91 -15.50 495 (2E)-hex-2-ene -12.87 -12.62 -12.45 -12.30 -10.63 -17.57 -14.80 -14.93 -14.74 -14.78 -13.43 -13.22 -14.44 -12.04 -11.95 -10.93 -10.89 -10.87 -11.85 -11.76 -10.74 -10.94 -11.56 -12.19 -12.62 -13.66 -13.01 -12.63 -13.10 -14.93 496 (2E)-pent-2-ene -7.53 -7.44 -7.27 -7.12 -5.74 -13.48 -9.77 -9.89 -10.30 -10.45 -8.63 -8.24 -10.00 -6.96 -7.34 -5.94 -5.98 -5.93 -6.58 -6.56 -5.46 -5.70 -6.48 -7.08 -7.93 -8.89 -8.02 -7.46 -7.95 -9.77 497 Ethylbenzene 7.15 6.81 7.78 9.45 9.70 6.18 5.57 5.60 5.99 6.89 6.25 6.23 6.92 6.77 7.15 6.66 9.22 9.21 7.74 7.58 7.72 7.08 7.54 7.21 7.53 6.76 6.48 6.96 11.07 9.59 498 Ethylcyclopropane 0.76 0.87 0.69 0.91 2.30 -0.84 -2.16 -2.85 -2.68 0.16 1.65 -2.70 0.46 -1.61 -1.50 -0.36 -1.10 -1.03 -1.63 -0.98 -0.72 -0.07 0.12 0.34 0.52 0.23 0.95 0.95 -0.70 0.57 499 Fluoranthene 69.06 62.75 65.35 73.11 69.33 76.88 64.11 64.22 67.31 72.97 66.38 61.94 72.18 62.34 65.01 59.92 73.39 73.14 68.92 67.51 64.47 63.71 67.52 69.02 70.44 68.49 65.25 66.63 76.72 78.98 500 Hept-1-yne 24.62 24.40 24.55 25.24 27.06 21.65 25.70 25.69 25.49 24.48 26.07 27.78 24.80 28.37 28.14 29.33 25.91 25.91 26.03 26.53 27.15 27.37 25.99 25.26 25.74 24.19 24.96 24.93 25.92 26.35 501 Hept-3-yne 19.84 20.99 21.03 21.82 23.25 15.66 19.84 19.76 19.25 18.78 21.18 21.72 19.27 22.71 22.26 24.08 21.57 21.60 21.48 21.99 22.98 23.16 22.09 21.49 20.75 19.22 20.34 20.81 21.10 21.22 502 Hex-1-ene -10.18 -10.36 -10.08 -9.99 -8.19 -14.28 -11.37 -11.45 -11.44 -11.64 -10.54 -9.73 -11.36 -8.78 -8.81 -7.97 -8.17 -8.15 -9.06 -8.97 -8.17 -8.30 -9.04 -9.69 -9.70 -10.78 -10.23 -10.07 -8.90 -10.65 503 Hex-3-yne 24.62 26.23 26.26 27.07 28.21 19.87 25.00 24.91 23.79 23.23 26.08 26.83 23.82 27.91 26.98 29.16 26.60 26.65 26.87 27.29 28.35 28.51 27.26 26.70 25.56 24.10 25.43 26.09 26.41 26.44 504 Hexadecane -89.43 -90.71 -91.01 failed -86.59 -82.50 -91.34 -91.50 -84.59 -83.12 -87.20 -89.75 -84.04 -89.99 -84.57 -87.84 -86.66 -87.16 -91.46 -90.73 -90.88 -90.40 -89.19 -89.81 -85.32 -87.59 -89.41 -91.45 -86.07 -89.37 505 Isopropylbenzene 0.96 -0.74 0.10 2.44 2.53 1.63 -0.13 -0.06 0.98 2.06 -0.13 0.82 1.91 1.08 1.98 0.27 3.06 2.96 1.47 1.11 0.93 0.23 0.84 0.62 2.16 0.69 -0.37 0.03 4.97 3.24 506 Isopropylcyclopropane -4.59 -6.54 -6.72 -6.23 -4.75 -5.45 -8.16 -8.81 -7.76 -4.84 -4.66 -8.47 -4.74 -7.66 -6.86 -6.75 -7.76 -7.75 -8.31 -7.64 -7.69 -7.02 -6.79 -6.45 -5.18 -5.88 -5.79 -6.07 -6.81 -5.37 507 Methylcyclobutane -1.63 -0.27 -0.31 -0.31 1.16 -0.28 -2.43 -2.99 -2.31 0.53 1.19 -2.65 0.74 -1.96 -1.44 -0.92 0.68 0.77 -1.73 -1.78 -1.70 -1.22 -0.97 -0.66 0.49 0.10 0.46 0.34 -10.72 -8.76 508 Methylcyclohexane -36.98 -36.60 -36.64 -36.44 -34.85 -29.78 -35.50 -35.76 -32.44 -31.12 -33.59 -35.77 -31.50 -36.28 -33.66 -35.57 -34.47 -34.51 -36.42 -36.37 -37.50 -37.10 -36.21 -35.85 -33.24 -34.08 -35.19 -35.93 -34.16 -33.89 509 Methylcyclopentadiene 23.90 22.88 23.68 24.63 25.96 22.28 21.80 21.43 21.98 23.75 24.91 21.88 24.02 23.13 23.49 24.39 26.19 26.26 24.18 23.91 23.94 24.04 23.80 23.94 24.21 24.31 24.87 25.55 21.06 21.84 510 Methylcyclopentene -0.91 -0.78 -0.46 -0.12 1.29 0.08 -1.95 -2.33 -1.19 0.54 0.95 -2.23 0.67 -1.63 -0.77 -0.44 1.63 1.68 -0.68 -0.91 -1.22 -1.05 -0.65 -0.43 0.28 0.32 0.54 0.93 -5.53 -4.77 511 Methylcyclopropane 5.98 6.14 5.97 6.12 7.29 3.14 2.77 2.07 1.67 4.40 6.48 2.15 4.81 3.38 3.03 4.64 3.85 3.96 3.63 4.23 4.63 5.20 5.28 5.45 5.13 5.00 6.00 6.18 3.99 5.54 512 Non-1-yne 14.75 14.23 14.38 15.09 17.49 13.68 15.86 15.86 16.83 16.03 16.69 18.06 16.14 18.42 19.12 19.56 16.33 16.23 15.69 16.33 16.77 17.08 16.00 15.24 16.58 14.90 15.24 14.80 15.93 16.12 513 Non-2-yne 10.33 13.03 13.13 14.04 15.86 11.36 12.92 12.87 13.93 13.89 13.96 15.51 14.04 15.83 16.60 16.57 14.07 13.90 13.52 13.94 14.76 15.05 14.19 13.57 14.81 12.99 12.99 12.89 12.32 12.42 514 Non-4-yne 11.80 10.71 10.14 11.52 12.91 7.50 9.80 9.72 10.40 10.14 11.61 11.79 10.41 12.55 13.04 14.13 11.80 11.77 10.96 11.64 12.45 12.69 11.95 11.30 11.38 9.71 10.42 10.50 10.86 10.96 515 Nonane -54.67 -55.07 -55.33 -55.76 -53.05 -54.67 -56.94 -57.12 -54.31 -53.61 -54.40 -55.77 -53.76 -55.22 -53.02 -53.68 -53.11 -53.26 -55.30 -55.04 -54.54 -54.42 -54.22 -54.74 -53.28 -55.10 -55.42 -56.04 -51.04 -53.66 516 Norbornene 21.51 18.36 19.00 20.29 21.03 30.75 22.17 21.49 22.97 28.73 26.98 20.54 28.47 20.11 21.33 20.02 24.14 24.23 21.26 20.96 18.13 18.83 19.58 20.89 25.22 24.80 24.06 24.08 22.33 23.94 517 Oct-1-yne 19.67 20.41 20.60 21.54 23.41 20.90 23.20 23.23 23.84 23.25 22.52 26.00 23.33 25.86 26.27 25.64 22.22 22.10 22.45 22.76 23.19 23.36 22.16 21.45 23.78 21.70 21.33 21.03 22.81 23.02 518 Oct-3-yne 15.26 15.96 15.98 16.78 18.46 11.70 14.95 14.87 14.94 14.59 16.52 16.89 14.96 17.76 17.77 19.22 16.82 16.80 16.34 16.92 17.82 18.04 17.13 16.51 16.19 14.59 15.51 15.78 16.17 16.20 519 1,4-Diethenylbenzene 50.86 48.44 50.29 53.59 53.38 46.24 48.40 48.72 48.06 48.89 47.76 50.99 48.97 51.97 51.48 50.60 54.12 54.05 53.13 53.17 53.25 52.02 52.27 51.42 51.37 50.25 49.71 50.24 52.20 51.25 520 Pent-2-yne 28.85 30.79 30.24 31.61 32.42 23.60 29.44 29.33 27.86 27.12 30.33 31.19 27.80 32.37 31.14 33.60 30.75 30.82 31.46 31.78 32.97 33.14 31.67 31.12 29.67 28.42 29.92 30.64 30.76 30.89 521 Penta-1,4-diene 25.34 24.48 25.24 25.89 27.34 18.56 24.74 24.78 23.18 22.26 24.33 27.00 22.76 28.10 26.76 28.34 27.54 27.61 27.16 27.24 28.14 27.84 26.46 25.65 25.07 24.62 25.60 26.12 23.42 22.38 522 Pentadecane -84.40 -85.61 -85.91 failed -81.80 -78.52 -86.42 -86.58 -80.25 -78.90 -82.50 -84.89 -79.70 -85.02 -80.05 -82.95 -81.85 -82.30 -86.28 -85.62 -85.68 -85.25 -84.19 -84.79 -80.74 -82.94 -84.55 -86.39 -81.06 -84.27 523 Phenanthrene 48.09 44.92 47.44 53.05 50.85 53.82 45.74 46.09 48.21 51.31 45.74 45.21 50.67 45.16 47.05 42.77 52.36 52.16 49.38 48.77 46.79 45.26 48.54 48.89 49.94 48.53 45.85 46.79 54.28 54.58 524 Phenylacetylene 78.23 74.99 75.85 79.22 78.40 71.48 75.96 76.21 74.45 74.09 75.34 77.79 74.46 78.64 77.28 78.25 77.94 78.01 78.05 78.21 78.37 77.94 77.12 76.56 75.88 74.70 75.30 76.03 78.38 79.31 525 (Prop-1-en-2-yl)benzene 28.27 26.19 27.54 30.13 29.96 26.13 26.42 26.61 26.61 27.55 26.12 28.14 27.54 28.61 28.67 27.57 30.27 30.22 29.14 29.08 29.07 28.01 28.39 27.86 28.61 27.65 26.97 27.48 28.22 26.96 526 (Prop-2-en-1-yl)benzene 32.98 30.38 31.80 34.21 34.51 29.93 30.89 31.05 30.94 31.32 30.59 32.26 31.37 32.80 32.76 32.18 34.61 34.57 32.82 32.61 32.71 31.99 32.12 31.64 32.24 31.77 31.42 32.06 32.42 31.37 527 Propylbenzene 1.89 0.45 1.33 3.41 3.57 1.70 0.15 0.22 1.18 2.21 0.38 1.03 2.11 1.38 2.21 0.77 3.69 3.59 1.94 1.47 1.58 0.96 1.60 1.30 2.54 1.30 0.41 0.91 5.43 3.41 528 Pyrene 53.86 48.62 51.37 58.91 54.71 63.32 50.41 50.76 54.59 58.96 50.83 48.71 58.00 48.59 51.87 45.60 58.76 58.49 55.56 54.47 51.28 49.64 54.44 55.49 56.63 54.16 50.20 51.52 61.48 62.59 529 Styrene 35.29 33.78 35.26 37.49 37.40 30.95 32.99 33.18 32.29 32.85 32.86 34.45 33.02 35.32 34.68 34.70 37.52 37.55 36.46 36.38 36.58 35.74 35.81 35.23 34.75 34.13 34.15 34.74 38.22 37.11 530 tert-butylbenzene -5.29 -7.49 -6.54 -3.74 -3.85 0.12 -3.92 -3.76 -1.88 -0.11 -4.76 -2.27 -0.59 -2.81 -1.23 -4.84 -2.58 -2.79 -3.49 -3.75 -4.62 -5.51 -4.90 -5.00 -1.23 -3.54 -5.77 -5.91 0.09 -1.44 531 trans-1,2-dimethylcyclobutane -3.70 -9.23 -9.35 -8.97 -7.54 -7.49 -10.88 -11.46 -9.90 -6.95 -7.08 -11.23 -6.88 -10.43 -9.24 -9.36 -7.37 -7.35 -10.18 -10.37 -10.34 -9.75 -9.47 -9.03 -7.37 -8.06 -8.11 -8.28 -17.76 -15.41 532 trans-1,3-dimethylcyclobutane -8.65 -8.13 -8.23 -7.96 -6.48 -6.38 -9.69 -10.24 -8.72 -5.83 -6.04 -9.90 -5.77 -9.22 -8.05 -8.21 -6.43 -6.40 -9.18 -9.29 -9.36 -8.83 -8.49 -8.07 -6.32 -6.97 -7.04 -7.29 -17.99 -15.31 533 (3E)-penta-1,3-diene 18.16 18.05 18.74 19.48 20.72 9.84 15.85 15.86 14.40 14.07 16.43 18.22 14.65 19.88 18.65 20.46 20.56 20.63 20.69 20.67 21.95 21.57 20.30 19.45 17.90 17.01 18.13 18.73 18.62 17.27 534 trans-decalin -43.52 -44.27 -44.24 -43.06 -41.31 -24.84 -38.75 -39.08 -32.36 -29.81 -36.69 -40.17 -30.95 -42.34 -37.00 -42.35 -39.97 -40.28 -43.51 -43.59 -46.85 -45.88 -43.62 -42.39 -36.20 -36.53 -39.72 -41.53 -42.27 -40.42 535 Tridecane -74.51 -75.43 -75.71 failed -72.22 -70.57 -76.59 -76.76 -71.61 -70.47 -73.13 -75.18 -71.05 -75.09 -71.04 -73.20 -72.27 -72.62 -75.96 -75.43 -75.30 -74.97 -74.20 -74.78 -71.59 -73.66 -74.84 -76.27 -71.06 -74.07 536 Triphenylene 61.57 58.08 61.31 failed 65.22 75.35 61.59 62.14 65.67 70.49 60.57 60.86 69.29 59.75 62.87 55.19 68.50 68.03 64.15 63.29 59.96 57.80 62.79 63.47 66.76 64.79 59.97 61.12 68.67 69.86 537 Undecane -64.63 -65.25 -65.53 failed -62.64 -62.62 -66.76 -66.94 -62.96 -62.04 -63.77 -65.47 -62.41 -65.15 -62.03 -63.44 -62.69 -62.94 -65.63 -65.23 -64.92 -64.70 -64.21 -64.76 -62.43 -64.38 -65.13 -66.16 -61.05 -63.86 538 (2Z)-3-methylpent-2-ene -14.88 -14.26 -14.10 -13.73 -12.34 -17.81 -15.92 -16.01 -15.53 -15.12 -14.98 -13.91 -14.86 -12.98 -12.65 -12.58 -12.39 -12.42 -12.97 -13.03 -12.07 -12.49 -12.96 -13.54 -13.18 -14.61 -14.57 -14.23 -16.20 -18.14 539 (2Z)-4-methylpent-2-ene -13.50 -13.12 -12.91 -12.46 -11.03 -16.36 -14.11 -14.20 -13.83 -13.67 -13.37 -12.20 -13.42 -11.27 -11.03 -10.82 -10.76 -10.78 -11.48 -11.52 -10.65 -10.98 -11.57 -12.14 -11.79 -13.26 -13.13 -12.82 -13.15 -14.48 540 (2Z)-hex-2-ene -12.05 -11.44 -11.18 -11.02 -9.42 -15.53 -13.21 -13.31 -13.05 -12.82 -12.34 -11.27 -12.53 -10.37 -10.22 -9.89 -9.69 -9.71 -10.50 -10.63 -9.53 -9.80 -10.36 -11.00 -10.78 -12.05 -11.84 -11.47 -11.88 -13.80 541 (2Z)-pent-2-ene -6.45 -6.15 -5.88 -5.84 -4.43 -11.97 -8.45 -8.57 -8.98 -8.96 -7.44 -6.75 -8.52 -5.58 -5.96 -4.81 -4.68 -4.63 -5.27 -5.31 -4.19 -4.45 -5.18 -5.81 -6.46 -7.49 -6.78 -6.28 -7.32 -9.05 542 Acetylene 54.43 53.67 54.58 54.62 55.87 48.87 57.46 57.49 54.61 52.61 55.52 59.55 53.32 60.19 57.83 60.05 55.38 55.44 57.57 57.60 58.16 58.34 55.74 55.14 54.95 53.42 54.78 55.31 56.75 57.14 543 1-Methylcyclopropene 58.22 57.29 57.38 58.24 58.88 51.19 53.17 52.39 51.14 54.17 57.17 53.36 54.87 55.25 54.15 56.44 54.63 54.72 55.15 55.69 56.42 56.89 56.53 56.46 56.06 56.11 57.52 58.07 50.03 53.02 544 Penta-1,2-diene 33.63 33.05 33.62 34.44 35.29 24.29 29.73 29.68 28.70 28.66 30.85 32.36 29.28 33.97 33.08 34.75 33.48 33.53 33.96 33.84 35.18 35.07 33.40 32.76 31.93 31.84 32.85 33.58 25.88 24.76 545 Methylidenecyclobutane 29.04 28.92 29.29 29.96 31.12 26.21 26.39 25.88 25.71 28.09 29.78 26.60 28.49 27.77 27.56 28.87 30.50 30.59 27.93 27.79 28.24 28.63 28.43 28.56 28.91 29.42 30.24 30.49 15.09 18.41 546 2-Methylbutane -36.74 -36.26 -36.41 -36.71 -35.33 -38.46 -37.57 -37.73 -36.95 -36.60 -36.49 -36.33 -36.44 -35.60 -35.00 -34.92 -35.10 -35.06 -35.40 -35.39 -34.75 -34.91 -35.38 -35.75 -35.22 -37.12 -37.04 -37.04 -31.68 -33.46 547 2,3-Dimethyl-1,3-butadiene 10.78 9.97 10.75 11.65 12.95 6.67 10.32 10.42 9.83 9.98 10.06 13.25 10.23 13.98 13.45 13.51 12.95 12.97 13.56 13.85 14.53 13.73 12.77 11.96 12.46 11.07 11.12 11.34 11.15 10.34 548 4-Methylcyclopentene 3.37 1.23 1.74 2.11 3.58 3.82 1.63 1.30 2.38 4.12 3.96 1.63 4.17 1.88 2.70 2.58 4.19 4.25 2.20 2.06 1.41 1.61 1.84 2.06 3.52 3.33 3.29 3.44 -1.54 -0.78 549 Methylidenecyclopentane 2.87 2.59 2.92 3.42 4.78 4.06 2.17 1.85 3.03 4.45 4.51 2.08 4.54 2.47 3.38 3.44 5.04 5.10 2.81 2.65 2.18 2.32 2.70 2.82 3.97 4.14 4.21 4.40 -4.80 -3.55 550 Bicyclo[3.1.0]hexane 9.15 8.79 8.77 9.28 10.52 14.63 7.48 6.56 8.04 13.01 13.02 5.28 12.96 5.51 6.69 6.72 7.94 8.03 5.97 6.57 5.12 6.25 7.46 8.52 10.47 11.02 11.09 10.75 5.10 9.01 551 (3Z)-hex-3-ene -11.38 -10.88 -10.64 -10.51 -8.90 -15.61 -12.91 -13.01 -12.98 -12.78 -11.81 -11.11 -12.45 -10.06 -10.08 -9.36 -8.95 -8.96 -9.92 -9.95 -8.92 -9.20 -9.71 -10.37 -10.56 -11.82 -11.37 -10.96 -11.68 -13.43 552 (3E)-hex-3-ene -13.00 -12.24 -12.10 -11.88 -10.27 -17.26 -14.38 -14.49 -14.43 -14.43 -13.10 -12.76 -14.08 -11.59 -11.59 -10.58 -10.39 -10.39 -11.38 -11.33 -10.33 -10.56 -11.15 -11.76 -12.19 -13.34 -12.70 -12.24 -12.44 -14.48 553 3-Methylpent-1-ene -11.82 -11.58 -11.31 -10.84 -9.35 -13.57 -11.21 -11.26 -11.00 -11.09 -11.07 -9.24 -10.91 -8.58 -8.42 -8.42 -8.86 -8.87 -9.40 -9.36 -8.75 -9.03 -9.76 -10.33 -9.49 -11.00 -10.98 -10.87 -8.91 -10.72 554 2-Ethylbut-1-ene -13.37 -13.23 -12.94 -12.87 -11.20 -15.62 -13.95 -14.01 -13.50 -13.35 -13.38 -11.95 -13.19 -11.42 -11.07 -11.09 -11.78 -11.78 -12.01 -11.73 -11.01 -11.49 -12.06 -12.73 -11.92 -13.13 -13.12 -13.05 -11.11 -12.63 555 2,3-Dimethylbut-1-ene -15.22 -14.85 -14.69 -13.99 -12.64 -16.02 -14.25 -14.29 -13.74 -13.67 -14.33 -12.15 -13.55 -11.59 -11.20 -11.73 -12.21 -12.23 -12.48 -12.47 -11.90 -12.38 -12.97 -13.51 -12.27 -13.94 -14.27 -14.16 -13.69 -14.79 556 2,3-Dimethylbut-2-ene -16.36 -15.26 -15.09 -14.85 -13.44 -18.49 -17.40 -17.49 -16.66 -15.76 -15.95 -15.12 -15.56 -14.22 -13.63 -13.79 -13.49 -13.52 -13.89 -13.81 -12.89 -13.44 -13.90 -14.42 -13.98 -15.49 -15.60 -15.33 -19.73 -20.46 557 Methylcyclopentane -25.38 -24.84 -24.88 -25.06 -23.50 -21.44 -25.53 -25.92 -23.90 -21.88 -22.57 -26.03 -21.95 -25.92 -24.30 -24.82 -22.92 -22.88 -25.14 -25.35 -26.08 -25.65 -25.07 -24.69 -22.99 -23.66 -23.93 -24.10 -26.93 -26.39 558 Ethylcyclobutane -6.43 -6.40 -6.46 -6.39 -4.77 -5.07 -8.29 -8.87 -7.57 -4.55 -4.45 -8.55 -4.45 -7.91 -6.91 -6.85 -5.03 -5.00 -7.79 -7.84 -7.81 -7.22 -6.89 -6.55 -4.93 -5.51 -5.43 -5.69 -15.28 -13.73 559 2,3-Dimethylbutane -42.44 -42.08 -42.19 -42.23 -40.73 -40.84 -41.68 -41.79 -40.19 -39.45 -41.01 -39.93 -39.55 -39.74 -38.48 -39.71 -40.25 -40.29 -40.32 -40.22 -39.98 -40.18 -40.64 -40.95 -38.92 -41.27 -41.98 -42.47 -36.40 -38.10 560 1,3,5-Cycloheptatriene 43.36 42.81 44.20 45.98 46.93 41.37 42.30 42.37 42.76 43.88 43.41 44.48 44.05 45.32 45.61 45.27 47.09 47.15 46.20 46.14 46.10 45.54 45.50 45.12 45.53 44.68 44.48 45.01 37.38 38.55 561 Quadricyclane 80.72 78.94 79.37 81.20 82.09 92.75 77.61 75.47 77.03 89.15 89.99 72.03 89.06 72.95 74.12 74.80 77.59 77.70 73.18 74.59 71.64 74.41 76.25 79.20 83.32 85.70 86.17 85.77 76.53 88.95 562 1,3-Cycloheptadiene 22.54 22.11 23.12 24.22 25.58 22.31 21.51 21.46 23.02 23.63 22.85 22.83 23.67 23.30 24.48 23.88 25.32 25.34 23.41 23.50 23.41 23.24 23.78 23.48 24.08 24.17 23.82 23.89 16.25 18.03 563 Tricyclo[4.1.0.0(2,4)]heptane 35.66 36.66 36.67 38.15 39.30 46.58 35.59 34.16 36.03 43.71 43.58 31.86 43.56 32.19 33.66 33.57 34.07 34.15 31.86 33.20 30.85 32.79 34.58 36.50 39.36 40.89 40.87 40.23 31.35 38.82 564 Ethylidenecyclopentane -4.33 -4.36 -4.10 -3.52 -2.04 -2.09 -5.27 -5.62 -3.71 -1.85 -2.45 -5.21 -1.85 -4.86 -3.38 -3.85 -1.95 -1.96 -4.40 -4.54 -4.99 -4.87 -4.23 -4.09 -2.57 -2.63 -2.88 -2.75 -12.28 -11.86 565 1-Methylcyclohexene -10.35 -10.06 -9.74 -9.15 -7.66 -6.49 -10.00 -10.22 -7.81 -6.78 -8.04 -9.93 -6.91 -9.92 -8.05 -9.02 -7.73 -7.74 -9.80 -9.74 -10.43 -10.40 -9.56 -9.41 -7.94 -7.96 -8.52 -8.53 -14.01 -13.22 566 Cycloheptene -2.20 -2.47 -1.91 -1.38 0.31 1.14 -1.91 -2.05 0.51 1.12 -0.64 -1.20 0.94 -1.45 0.55 -0.82 -0.04 -0.05 -2.25 -2.10 -2.65 -2.53 -1.79 -1.82 0.06 0.02 -0.79 -1.16 -7.39 -6.60 567 1-Methylbicyclo[3.1.0]hexane 0.36 0.03 -0.15 0.86 1.92 8.23 -0.22 -1.11 1.23 6.31 5.08 -2.34 6.10 -2.17 -0.31 -1.26 0.24 0.25 -1.96 -1.51 -3.25 -2.10 -0.81 0.48 3.25 3.37 2.82 2.36 -3.31 1.44 568 Hept-1-ene -14.89 -15.44 -15.18 -15.06 -12.98 -18.25 -16.29 -16.36 -15.76 -15.86 -15.22 -14.58 -15.69 -13.74 -13.32 -12.85 -12.97 -13.00 -14.23 -14.07 -13.35 -13.44 -14.02 -14.70 -14.28 -15.42 -15.09 -15.12 -13.90 -15.74 569 (3Z)-3-Methylhex-3-ene -19.23 -19.15 -19.04 -18.53 -16.96 -21.51 -20.46 -20.54 -19.59 -19.01 -19.48 -18.35 -18.85 -17.53 -16.83 -17.24 -16.78 -16.88 -17.73 -17.82 -16.95 -17.35 -17.64 -18.23 -17.36 -19.03 -19.29 -19.04 -20.98 -22.96 570 (3E)-3-Methylhex-3-ene -19.10 -19.06 -18.96 -18.47 -16.85 -21.61 -20.57 -20.65 -19.69 -19.10 -19.42 -18.46 -18.94 -17.64 -16.93 -17.22 -16.74 -16.82 -17.76 -17.76 -16.90 -17.28 -17.60 -18.18 -17.44 -19.05 -19.23 -19.01 -20.79 -22.99 571 2,4-Dimethylpent-1-ene -19.67 -21.14 -20.95 -20.22 -18.64 -20.82 -20.20 -20.23 -18.92 -18.74 -20.22 -17.96 -18.76 -17.56 -16.58 -17.77 -18.22 -18.32 -18.70 -18.76 -18.26 -18.65 -19.19 -19.72 -17.77 -19.59 -20.31 -20.40 -20.04 -21.00 572 2,4-Dimethylpent-2-ene -21.38 -21.69 -21.62 -20.87 -19.40 -23.22 -22.42 -22.50 -21.25 -20.78 -21.44 -20.34 -20.68 -19.50 -18.58 -19.12 -18.92 -19.02 -19.77 -19.79 -19.09 -19.48 -19.90 -20.36 -19.36 -21.14 -21.47 -21.29 -23.06 -24.03 573 2-Methyl-3-methylidenepentane -19.19 -19.09 -18.82 -18.29 -16.70 -18.36 -18.06 -18.07 -16.89 -16.40 -18.04 -15.61 -16.44 -15.47 -14.58 -15.86 -16.51 -16.60 -16.76 -16.56 -16.22 -16.74 -17.21 -17.77 -15.61 -17.42 -18.20 -18.37 -16.77 -18.43 574 trans-1,2-dimethylcyclopentene -32.66 -32.51 -32.59 -32.37 -30.79 -26.24 -31.77 -32.15 -29.17 -27.10 -29.24 -32.07 -27.38 -32.23 -29.87 -31.55 -29.70 -29.76 -32.04 -32.29 -33.30 -32.87 -32.21 -31.74 -28.90 -29.94 -30.92 -31.36 -33.32 -32.70 575 Ethylcyclopentane -30.33 -29.84 -29.89 -29.95 -28.16 -24.67 -29.87 -30.25 -27.60 -25.43 -27.03 -30.17 -25.64 -30.32 -28.21 -29.46 -27.53 -27.57 -29.97 -30.18 -31.05 -30.59 -29.86 -29.49 -27.00 -27.86 -28.57 -28.97 -31.32 -31.21 576 Cycloheptane -28.23 -27.61 -27.59 -27.60 -25.82 -21.93 -27.40 -27.62 -24.33 -22.95 -25.64 -27.06 -23.31 -27.78 -25.17 -27.26 -26.26 -26.32 -28.26 -28.25 -29.10 -28.66 -27.74 -27.51 -24.80 -25.48 -26.71 -27.58 -28.47 -27.88 577 3-Methylhexane -46.19 -45.77 -45.93 -46.13 -44.23 -45.11 -46.34 -46.49 -44.52 -43.78 -45.10 -44.76 -43.87 -44.44 -42.90 -43.96 -43.89 -43.99 -44.82 -44.75 -44.35 -44.40 -44.62 -45.01 -43.22 -45.37 -45.97 -46.47 -40.76 -43.01 578 3-Ethylpentane -45.28 -43.53 -43.70 -43.79 -41.96 -42.07 -43.59 -43.71 -41.74 -40.76 -42.78 -41.68 -40.91 -41.59 -40.04 -41.66 -41.64 -41.79 -42.31 -42.39 -42.05 -42.11 -42.38 -42.79 -40.33 -42.65 -43.61 -44.11 -39.41 -41.83 579 2,3-Dimethylpentane -46.97 -46.47 -46.61 -46.49 -44.83 -43.50 -45.46 -45.57 -43.34 -42.40 -45.06 -43.43 -42.62 -43.55 -41.80 -43.90 -44.21 -44.35 -44.59 -44.60 -44.42 -44.60 -44.86 -45.20 -42.29 -44.84 -46.10 -46.80 -40.37 -42.42 580 2,2,3-Trimethylbutane -48.87 -49.02 -49.11 -48.58 -47.30 -42.80 -45.73 -45.78 -43.26 -42.01 -46.06 -43.27 -42.42 -43.86 -41.87 -45.04 -46.01 -46.15 -45.56 -45.53 -45.86 -46.16 -46.64 -46.80 -42.59 -45.71 -47.62 -48.67 -41.94 -43.10 581 1,2-Dimethylbenzene 4.55 2.96 3.86 5.77 5.68 2.73 1.67 1.69 2.48 3.51 2.39 2.41 3.51 3.06 3.74 2.89 5.55 5.52 4.21 3.97 4.10 3.31 3.87 3.60 4.09 3.11 2.58 3.15 5.72 4.33 582 1,3-Dimethylbenzene 4.12 3.24 4.05 6.13 6.05 2.17 1.54 1.54 2.25 3.08 2.55 2.04 3.15 2.93 3.55 3.15 5.99 5.97 4.34 4.06 4.28 3.58 4.12 3.92 3.90 3.05 2.80 3.50 4.00 3.38 583 Bicyclo[2.2.2]oct-2-ene 4.90 4.48 5.02 6.44 7.55 18.58 9.03 8.67 11.79 15.81 11.86 8.01 15.31 6.81 9.36 6.34 9.82 9.84 7.10 6.77 3.46 3.84 5.51 6.68 11.47 11.32 9.51 9.34 1.42 3.27 584 4-Ethenylcyclohexene 15.56 15.70 16.58 17.97 19.68 20.53 18.54 18.48 20.32 20.77 19.14 19.44 20.60 19.22 20.62 19.35 20.11 20.06 17.89 18.01 17.12 17.08 17.50 17.43 19.61 19.89 19.14 19.04 12.18 13.03 585 (Prop-2-en-1-yl)cyclopentane -5.76 -5.79 -5.40 -4.73 -2.81 -0.40 -4.22 -4.48 -2.25 -0.55 -2.23 -3.80 -0.75 -4.00 -2.25 -3.59 -2.01 -2.09 -4.67 -4.86 -5.73 -5.33 -4.96 -4.75 -1.95 -2.36 -3.12 -3.46 -9.37 -8.79 586 1-Ethylcyclohex-1-ene -15.15 -14.65 -14.39 -13.59 -11.96 -9.31 -13.86 -14.05 -11.17 -9.88 -12.12 -13.54 -10.14 -13.81 -11.56 -13.31 -11.82 -11.92 -14.13 -14.11 -14.93 -14.91 -13.87 -13.74 -11.44 -11.78 -12.83 -12.99 -17.86 -17.71 587 Ethenylcyclohexane -11.69 -12.03 -11.65 -10.65 -8.97 -5.02 -9.24 -9.38 -6.63 -5.71 -8.29 -8.77 -6.07 -9.34 -7.18 -9.19 -8.31 -8.40 -10.48 -10.41 -11.55 -11.30 -10.65 -10.51 -7.59 -8.09 -9.27 -9.90 -11.33 -11.09 588 Cyclooctene -7.08 -5.97 -5.42 -4.64 -2.82 0.66 -4.08 -4.15 -1.08 0.27 -3.42 -2.60 -0.14 -3.54 -1.11 -3.99 -3.34 -3.45 -5.09 -5.09 -5.86 -5.77 -5.01 -5.09 -1.47 -2.08 -3.81 -4.56 -10.21 -9.72 589 cis-Bicyclo[4.2.0]octane -6.26 -5.75 -5.70 -4.84 -3.27 6.25 -4.12 -4.77 -0.87 3.52 0.08 -5.50 3.01 -6.37 -3.29 -5.96 -2.85 -2.93 -6.91 -7.00 -8.99 -7.90 -6.30 -5.12 -0.62 -0.55 -2.13 -3.25 -15.95 -11.34 590 trans-Bicyclo[3.3.0]octane -15.92 -14.47 -14.39 -13.90 -12.37 -2.01 -12.82 -13.45 -9.46 -5.01 -8.06 -14.64 -5.52 -15.43 -12.22 -14.59 -10.51 -10.57 -14.46 -14.91 -17.46 -16.41 -14.94 -13.67 -9.29 -9.34 -10.72 -11.44 -17.14 -15.05 591 Bicyclo[2.2.2]octane -23.66 -22.81 -22.78 -21.98 -20.74 -7.53 -19.02 -19.42 -15.07 -11.44 -16.24 -20.65 -12.14 -22.24 -18.70 -22.39 -18.81 -18.85 -21.99 -22.37 -25.76 -24.99 -22.95 -21.61 -16.59 -16.74 -18.95 -19.84 -25.48 -23.25 592 1-Methylbicyclo[4.1.0]heptane -4.97 -5.78 -5.98 -4.76 -3.48 4.73 -4.95 -5.68 -2.05 2.31 -0.65 -6.46 1.84 -6.89 -4.02 -6.33 -5.55 -5.63 -7.73 -7.10 -9.14 -7.99 -6.39 -5.14 -1.51 -1.43 -2.81 -3.84 -10.75 -5.95 593 Oct-1-ene -19.52 -19.28 -19.00 -18.78 -16.49 -20.22 -19.47 -19.51 -18.29 -18.13 -18.70 -17.40 -18.12 -16.92 -16.00 -16.49 -16.44 -16.58 -17.95 -17.83 -17.25 -17.33 -17.74 -18.43 -17.02 -18.42 -18.67 -18.98 -17.92 -19.90 594 (3Z)-2,2-dimethylhex-3-ene -21.55 -23.13 -22.82 -21.73 -20.26 -19.90 -20.61 -20.58 -18.71 -17.97 -21.02 -17.71 -18.19 -17.74 -16.30 -18.71 -19.09 -19.28 -19.63 -19.67 -19.51 -20.01 -20.36 -20.85 -17.55 -20.06 -21.54 -21.83 -23.05 -23.46 595 3-Ethyl-2-methylpent-1-ene -24.02 -24.88 -24.79 -23.71 -22.12 -22.02 -22.75 -22.75 -20.92 -20.30 -23.31 -20.05 -20.47 -20.15 -18.75 -21.14 -21.39 -21.61 -21.95 -22.14 -21.84 -22.25 -22.62 -23.12 -19.88 -22.12 -23.59 -23.88 -22.67 -24.82 596 2,4,4-Trimethylpent-1-ene -26.41 -27.70 -27.49 -26.22 -24.77 -22.42 -23.91 -23.87 -21.54 -20.90 -24.92 -20.89 -21.25 -21.27 -19.48 -22.65 -23.81 -24.01 -23.69 -23.74 -23.80 -24.33 -24.88 -25.30 -21.05 -23.68 -25.62 -26.21 -26.24 -26.53 597 2,4,4-Trimethylpent-2-ene -25.07 -26.47 -26.28 -25.04 -23.72 -22.78 -24.06 -24.05 -21.81 -20.90 -24.22 -21.11 -21.15 -21.11 -19.40 -22.01 -22.47 -22.67 -22.80 -22.76 -22.69 -23.29 -23.65 -24.04 -20.65 -23.22 -24.83 -25.19 -28.05 -28.05 598 Propylcyclopentane -35.35 -35.01 -35.09 -35.06 -33.03 -28.64 -34.79 -35.16 -31.93 -29.63 -31.76 -35.02 -29.96 -35.29 -32.71 -34.39 -32.34 -32.45 -35.14 -35.32 -36.30 -35.76 -34.92 -34.53 -31.57 -32.52 -33.47 -34.08 -36.40 -36.37 599 Ethylcyclohexane -41.02 -41.14 -41.20 -40.88 -39.11 -32.56 -39.42 -39.67 -35.76 -34.19 -37.61 -39.44 -34.71 -40.24 -37.15 -39.81 -38.57 -38.71 -40.79 -40.76 -42.02 -41.57 -40.56 -40.19 -36.77 -37.80 -39.36 -40.37 -38.29 -38.48 600 trans-1,2-dimethylcyclohexane -43.01 -43.40 -43.42 -42.87 -41.23 -33.18 -40.53 -40.76 -36.55 -34.97 -39.12 -40.40 -35.58 -41.36 -38.03 -41.27 -40.41 -40.57 -42.23 -42.19 -43.67 -43.28 -42.38 -41.93 -37.88 -39.19 -41.12 -42.25 -39.58 -39.43 601 cis-1,4-dimethylcyclohexane -42.22 -42.53 -42.56 -41.96 -40.37 -32.43 -39.67 -39.89 -35.79 -34.18 -38.43 -39.50 -34.77 -40.48 -37.24 -40.55 -39.50 -39.65 -41.38 -41.47 -42.91 -42.55 -41.55 -41.11 -37.03 -38.37 -40.35 -41.43 -39.34 -38.90 602 trans-1,4-dimethylcyclohexane -44.11 -44.32 -44.33 -43.86 -42.14 -34.85 -41.92 -42.16 -37.94 -36.55 -40.23 -42.03 -37.12 -42.75 -39.42 -42.28 -41.32 -41.46 -43.36 -43.31 -44.76 -44.32 -43.42 -42.93 -39.32 -40.52 -42.21 -43.23 -40.79 -40.32 603 Cyclooctane -29.90 -29.27 -29.21 -29.07 -27.05 -21.18 -28.13 -28.29 -24.24 -22.50 -26.92 -27.08 -23.07 -28.35 -25.13 -28.59 -27.68 -27.86 -29.70 -29.75 -30.68 -30.20 -29.23 -29.08 -24.95 -25.91 -27.99 -29.33 -31.17 -30.13 604 3-Methylheptane -50.79 -50.90 -51.08 -51.22 -49.05 -49.09 -51.27 -51.41 -48.85 -48.00 -49.82 -49.63 -48.21 -49.42 -47.42 -48.87 -48.71 -48.88 -50.00 -49.88 -49.57 -49.56 -49.66 -50.05 -47.80 -50.02 -50.86 -51.55 -45.76 -48.15 605 4-Methylheptane -50.66 -50.84 -51.03 -51.17 -49.02 -48.99 -51.17 -51.31 -48.76 -47.90 -49.75 -49.51 -48.10 -49.31 -47.32 -48.81 -48.61 -48.79 -49.90 -49.80 -49.51 -49.48 -49.60 -49.97 -47.70 -49.94 -50.79 -51.49 -45.83 -48.22 606 2,2-Dimethylhexane -53.68 -54.29 -54.46 -54.12 -52.34 -49.50 -52.44 -52.53 -49.63 -48.69 -51.82 -50.51 -49.05 -50.66 -48.38 -50.85 -51.29 -51.50 -51.89 -51.83 -51.94 -52.06 -52.29 -52.52 -49.10 -51.88 -53.34 -54.24 -48.13 -49.56 607 2,5-Dimethylhexane -53.18 -52.96 -53.11 -53.05 -51.02 -49.82 -52.37 -52.48 -49.65 -48.83 -51.28 -50.59 -49.13 -50.48 -48.27 -50.22 -50.30 -50.50 -51.36 -51.26 -51.18 -51.19 -51.40 -51.67 -48.92 -51.39 -52.53 -53.34 -47.42 -49.20 608 Cyclopropylbenzene 35.97 35.87 36.79 39.35 39.53 38.33 34.07 33.63 34.15 37.99 37.24 33.47 37.94 34.10 34.57 33.99 35.97 35.95 34.46 35.12 34.44 34.54 35.75 36.05 37.13 37.29 36.95 36.96 36.46 38.10 609 1,3,5-Trimethylbenzene -3.80 -4.58 -3.92 -1.41 -1.41 -4.22 -6.14 -6.16 -4.54 -3.51 -4.92 -5.56 -3.53 -4.67 -3.36 -4.46 -1.34 -1.44 -3.28 -3.59 -3.47 -4.27 -3.44 -3.56 -3.05 -4.17 -4.87 -4.15 -6.44 -6.50 610 (5Z)-5-ethylidenebicyclo[2.2.1]hept-2-ene 34.95 33.31 34.13 36.72 37.25 46.70 37.90 37.26 39.30 45.20 42.36 37.02 44.89 36.73 38.34 36.15 40.80 40.73 37.34 36.96 34.12 34.56 35.48 36.72 41.69 41.36 40.04 40.34 32.77 34.41 611 1,1'-Bi(cyclopropane) 30.93 32.16 31.99 32.88 34.36 33.18 28.29 27.11 27.54 33.06 34.81 26.33 33.30 27.52 27.81 29.15 27.73 27.77 26.81 28.29 27.83 29.29 30.18 31.05 31.81 32.80 33.65 33.23 24.97 29.48 612 (1R,2S)-1,2-diethenylcyclobutane 39.79 40.61 41.42 43.20 44.86 43.17 42.56 42.27 42.66 45.03 44.28 44.13 45.10 44.55 44.79 44.17 45.46 45.38 42.69 42.76 42.44 42.73 42.41 42.42 45.07 44.82 44.46 44.29 29.48 31.60 613 (1S,2S)-1,2-diethenylcyclobutane 34.30 38.73 39.55 41.40 43.03 40.58 40.24 39.92 40.31 42.55 42.33 41.51 42.65 42.27 42.49 42.28 43.86 43.77 40.80 40.85 40.63 41.07 40.62 40.66 42.79 42.65 42.54 42.39 28.41 30.52 614 (1R,2R)-1-ethyl-2-methylcyclopentane -37.33 -37.54 -37.63 -37.27 -35.50 -29.37 -36.05 -36.40 -32.82 -30.55 -33.69 -36.10 -30.97 -36.56 -33.72 -36.19 -34.31 -34.46 -36.82 -37.11 -38.28 -37.78 -37.02 -36.53 -32.82 -34.09 -35.55 -36.24 -37.74 -37.63 615 5-Methylidenecyclopenta-1,3-diene 33.21 32.94 34.12 35.96 37.25 32.85 32.00 31.81 32.44 35.03 34.81 33.50 35.15 34.72 35.15 34.97 37.92 37.90 36.45 36.30 36.29 36.06 35.82 35.84 36.39 35.10 34.99 35.41 34.19 34.96 616 Propylcyclohexane -45.96 -42.96 -43.06 -42.56 -40.54 -32.45 -40.55 -40.77 -36.20 -34.31 -39.23 -40.02 -34.99 -41.24 -37.63 -41.50 -40.02 -40.30 -42.49 -42.69 -43.93 -43.45 -42.27 -41.93 -37.31 -38.66 -40.97 -42.19 -41.51 -41.82 617 Butylcyclohexane -51.08 -48.27 -48.36 -47.83 -45.56 -36.46 -45.55 -45.76 -40.60 -38.56 -44.10 -44.92 -39.36 -46.28 -42.19 -46.56 -44.98 -45.36 -47.75 -47.96 -49.35 -48.74 -47.52 -47.13 -41.94 -43.40 -46.01 -47.43 -46.68 -46.30 618 Heptylcyclohexane -69.12 -66.69 -66.86 failed -63.18 -52.37 -63.94 -64.16 -57.33 -55.20 -61.07 -63.63 -56.26 -65.01 -59.61 -64.24 -62.50 -62.95 -66.57 -66.29 -68.05 -67.27 -65.61 -65.25 -59.58 -60.98 -63.68 -65.69 -63.38 -64.11 619 Decyclcyclohexane -81.14 -75.91 -76.06 failed -71.32 -55.57 -70.91 -71.04 -62.19 -59.20 -69.25 -69.22 -60.76 -71.76 -64.78 -72.77 -70.57 -71.54 -75.21 -75.52 -77.46 -76.55 -74.53 -74.22 -65.01 -67.27 -72.05 -74.78 -75.07 -75.56 620 Dodecylcyclohexane -90.49 -85.61 failed failed -80.41 -62.52 -79.93 -80.02 -69.97 -66.66 -78.14 -77.93 -68.47 -80.82 -72.89 -82.04 -79.52 -80.73 -84.84 -85.19 -87.33 -86.32 -84.03 -83.72 -73.26 -75.78 -81.25 -84.41 -84.47 -86.00 621 1,1-Dimethylcyclohexane -43.25 -43.94 -44.01 -43.13 -41.81 -32.07 -39.84 -40.04 -35.82 -33.99 -38.99 -39.43 -34.68 -40.69 -37.34 -41.22 -40.49 -40.65 -41.92 -41.97 -43.71 -43.42 -42.55 -42.02 -37.21 -38.88 -41.20 -42.49 -40.06 -39.29 622 1-Methyl-4-(propan-2-yl)cyclohexnane -55.16 -51.37 -51.41 failed -48.40 -34.83 -45.26 -45.38 -39.98 -37.42 -45.29 -43.97 -38.44 -46.10 -41.80 -47.96 -46.84 -47.25 -48.52 -48.85 -50.85 -50.56 -49.38 -48.91 -41.72 -44.00 -47.73 -49.63 -47.12 -47.03 623 (1a,3a,5a)-1,3,5-Trimethylcyclohexane -50.69 -52.10 -52.19 -51.27 -49.55 -39.78 -48.21 -48.43 -43.33 -41.85 -46.83 -48.16 -42.63 -49.09 -45.08 -48.97 -48.10 -48.37 -50.21 -50.23 -51.96 -51.50 -50.58 -49.98 -45.28 -46.88 -49.20 -50.50 -47.21 -46.71 624 1,1'-bi(cyclohexane) -51.55 -45.94 -45.92 -44.51 -42.37 -22.65 -39.03 -39.31 -31.86 -28.05 -37.23 -39.45 -29.45 -42.48 -36.52 -43.70 -40.89 -41.43 -44.56 -44.93 -48.61 -47.58 -45.16 -43.91 -35.37 -36.23 -40.54 -42.81 -46.48 -44.86 625 (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene -1.53 1.10 1.70 4.02 5.47 11.26 5.68 5.67 9.45 10.84 5.29 7.56 10.27 6.60 9.53 5.17 6.28 5.97 4.34 4.08 2.85 2.52 3.42 3.50 8.49 7.72 5.02 4.66 -5.27 -4.43 626 Cyclononane -31.74 -30.18 -30.10 failed -27.45 -20.52 -28.63 -28.77 -23.83 -21.93 -27.61 -26.94 -22.69 -28.57 -24.65 -29.14 -28.33 -28.65 -30.73 -30.89 -31.78 -31.23 -30.27 -30.21 -24.85 -25.87 -28.57 -30.17 -36.23 -35.59 627 Cyclodecane -36.88 -35.24 -34.98 -34.63 -32.03 -21.85 -31.88 -31.92 -26.63 -23.88 -31.33 -29.62 -24.89 -31.98 -27.74 -33.61 -33.34 -33.78 -34.86 -35.08 -36.35 -35.84 -34.95 -34.98 -27.77 -29.20 -32.71 -34.99 -39.78 -40.42 628 Cycloundecane -42.88 -43.23 -43.11 -42.68 -39.93 -28.55 -39.56 -39.59 -33.23 -30.86 -39.68 -37.02 -32.06 -39.59 -34.54 -41.54 -40.38 -41.01 -43.17 -43.71 -44.54 -43.94 -42.76 -42.81 -35.02 -36.71 -40.93 -43.21 -47.87 -47.48 629 Cyclododecane -55.04 -46.91 -46.73 failed -43.14 -29.70 -42.18 -42.18 -35.14 -32.39 -42.62 -39.22 -33.80 -42.23 -36.64 -44.76 -44.03 -44.82 -46.50 -47.10 -48.13 -47.50 -46.32 -46.46 -37.23 -39.14 -44.04 -46.77 -50.82 -51.29 630 Cyclotridecane -58.89 -53.44 -53.57 failed -49.52 -35.44 -48.70 -48.70 -40.77 -38.36 -48.81 -45.89 -39.90 -48.78 -42.51 -50.86 -49.78 -50.76 -53.27 -53.87 -54.90 -54.15 -52.78 -52.87 -43.51 -45.38 -50.40 -53.11 -58.15 -59.39 631 Cyclotetradecane -57.17 -58.30 -58.13 failed -55.70 -38.17 -52.93 -52.82 -44.68 -41.50 -52.60 -49.91 -43.21 -53.08 -46.61 -55.47 -54.30 -55.44 -57.55 -58.14 -59.44 -58.68 -57.33 -57.48 -47.25 -49.33 -54.62 -57.64 -64.52 -65.07 632 Cyclopentadecane -72.04 -67.63 -67.59 failed -62.93 -45.96 -61.60 -61.55 -52.35 -49.68 -61.81 -58.62 -51.56 -61.92 -54.67 -64.39 -63.00 -64.36 -67.24 -67.79 -69.16 -68.26 -66.58 -66.61 -55.83 -58.06 -63.91 -67.12 -68.42 -71.40 633 Cyclohexadecane -76.89 -72.50 -72.56 failed -67.57 -49.90 -66.45 -66.37 -56.56 -53.83 -66.36 -63.43 -55.84 -66.74 -59.02 -69.07 -67.34 -68.84 -72.21 -72.68 -74.10 -73.13 -71.28 -71.33 -60.27 -62.53 -68.57 -71.97 -73.40 -76.08 634 Cycloheptadecane -87.07 -76.60 -76.64 failed -71.34 -52.25 -69.99 -69.90 -59.30 -56.46 -70.14 -66.61 -58.63 -70.25 -61.93 -72.90 -71.10 -72.76 -76.37 -76.91 -78.39 -77.35 -75.31 -75.35 -63.34 -65.82 -72.43 -75.99 -77.91 -81.51 635 (1E,5E,9Z)-cyclododeca-1,5,9-triene 23.21 23.08 24.32 failed 29.27 33.03 28.26 28.48 32.57 33.31 27.07 31.73 32.56 30.41 33.54 28.55 28.98 28.44 26.10 26.02 25.67 25.47 26.12 25.64 31.26 30.76 27.68 27.33 14.59 13.10 636 (1E,5E,9E)-cyclododeca-1,5,9-triene 24.21 23.79 25.08 27.85 29.89 35.34 29.69 29.92 34.04 35.27 28.12 33.37 34.47 31.60 34.75 29.08 29.11 28.59 27.08 26.98 26.33 25.85 26.59 26.01 32.66 32.24 28.76 28.34 16.01 14.44 637 Cyclotetradeca-1,8-diyne 75.00 66.44 67.27 failed 72.47 80.11 74.54 74.78 79.23 79.80 72.39 78.99 78.91 76.26 79.69 73.76 68.59 67.97 68.18 68.89 67.92 68.60 68.58 68.28 75.85 73.70 70.02 69.06 61.72 64.27 638 [(Cyclopenta‐2,4‐dien‐1‐ylidene)(phenyl)methyl]benzene 96.08 90.42 93.59 failed 99.22 104.84 95.72 96.15 98.20 103.92 94.92 97.84 103.13 97.48 99.29 92.23 102.97 102.37 99.90 98.12 96.08 94.33 96.80 97.08 102.57 99.25 94.80 96.29 100.48 99.39 639 Cubane 148.69 143.63 144.56 146.44 148.29 162.56 143.15 140.58 142.71 159.05 158.91 137.71 158.97 138.30 139.84 139.78 149.10 149.23 137.39 137.63 134.15 137.43 139.63 143.65 151.41 155.56 155.57 154.88 106.54 125.64 640 cis-bicyclo[3.3.0]octane -22.20 -21.49 -21.46 failed -19.37 -9.07 -19.70 -20.29 -16.21 -12.25 -15.45 -21.59 -12.79 -22.48 -19.20 -21.69 -17.56 -17.62 -21.75 -22.19 -24.70 -23.67 -21.99 -20.74 -16.57 -16.60 -18.06 -18.77 -27.81 -25.05 641 1,4-Dimethylbicyclo[2.2.1]heptane -30.74 -32.16 -32.35 -30.47 -29.86 -12.55 -25.82 -26.44 -21.56 -16.57 -22.51 -27.81 -17.44 -29.01 -25.09 -29.70 -25.51 -25.68 -28.93 -29.65 -33.24 -32.34 -30.92 -29.13 -22.29 -23.64 -26.43 -27.36 -28.65 -25.33 642 trans-2,3-dimethylbicyclo[2.2.1]heptane -25.69 -27.49 -27.48 -25.86 -24.98 -8.20 -21.55 -22.20 -17.69 -12.16 -18.05 -23.20 -13.00 -24.66 -21.04 -25.61 -21.26 -21.45 -24.57 -25.19 -28.72 -27.72 -26.35 -24.71 -17.74 -19.06 -21.81 -22.91 -22.36 -20.88 643 2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptane -6.84 -7.06 -6.79 -3.71 -3.43 14.95 2.00 1.52 5.81 11.39 3.76 1.48 10.44 -0.38 3.08 -2.84 1.04 0.78 -1.71 -2.35 -6.29 -5.77 -4.51 -2.88 5.57 3.94 0.31 -0.62 -3.70 -1.70 644 Tricyclo[5.2.1.0(2,6))decane -14.34 -19.30 -19.21 -17.34 -16.41 6.61 -12.02 -12.89 -7.14 0.17 -6.85 -15.36 -0.95 -17.61 -12.96 -18.39 -12.07 -12.26 -16.99 -17.71 -22.87 -21.29 -18.96 -16.51 -8.07 -8.44 -11.70 -13.14 -18.08 -14.80 645 Tricyclo[2.2.1.0(2,6)]heptane 19.62 16.36 16.48 17.78 18.41 31.71 18.10 16.69 18.85 27.34 26.23 13.38 26.98 13.24 14.97 14.16 18.08 18.18 14.56 15.03 11.75 13.56 15.21 17.48 21.76 22.55 22.12 21.67 24.53 29.61 646 Tetracyclo[6.2.1.0(2,7).0(3,5)]undecane 14.10 17.04 17.18 19.87 20.75 47.13 24.37 23.04 29.19 39.65 31.55 20.30 38.39 17.76 22.72 16.43 22.12 21.87 17.15 17.04 11.05 13.50 16.38 19.64 29.60 30.16 26.34 24.41 12.60 20.61 647 Spiro[5.5]undecane -45.00 -47.96 -48.03 -46.11 -44.65 -23.83 -39.76 -40.02 -32.75 -29.34 -38.94 -40.26 -30.74 -43.37 -37.57 -45.06 -42.62 -43.09 -45.62 -45.98 -49.75 -48.84 -46.56 -45.24 -36.67 -37.81 -42.33 -44.69 -45.20 -43.40 648 Bicyclo[3.3.1]nonane -30.47 -22.97 -22.88 -21.95 -20.35 -4.84 -18.02 -18.33 -13.36 -9.07 -15.70 -18.67 -10.00 -21.04 -17.00 -22.13 -18.93 -19.10 -21.62 -22.02 -25.67 -24.88 -22.90 -21.64 -14.96 -15.45 -18.54 -19.99 -27.40 -24.87 649 Bicyclo[3.3.1]non-2-ene -11.74 -8.05 -7.56 -5.75 -4.56 8.61 -2.25 -2.48 2.15 4.92 -1.01 -3.01 4.13 -4.92 -1.22 -5.79 -3.09 -3.21 -5.94 -6.13 -9.35 -8.96 -6.86 -5.83 -0.30 -0.26 -3.03 -3.94 -10.28 -7.55 650 2-Methylidenebicyclo[2.2.2]octane -2.20 -3.18 -2.90 -0.93 0.16 12.69 2.18 1.88 6.13 9.36 3.99 1.17 8.66 -0.30 3.12 -1.03 2.44 2.33 -0.83 -1.23 -4.69 -4.26 -2.31 -1.11 4.36 4.42 1.89 1.31 -9.20 -6.52 651 2-Methylbicyclo[2.2.2]oct-2-ene -4.45 -4.96 -4.67 failed -1.78 10.67 -0.18 -0.56 3.46 7.66 2.63 -1.22 7.04 -2.37 0.88 -3.01 0.98 0.87 -2.02 -2.58 -5.97 -5.60 -3.71 -2.39 2.98 2.51 0.13 -0.01 -9.19 -7.26 652 Adamantane -31.90 -33.90 -33.90 -31.58 -30.87 -5.11 -24.20 -24.68 -17.61 -12.88 -22.10 -27.40 -14.27 -30.67 -24.96 -32.06 -27.22 -27.41 -31.21 -31.61 -37.66 -36.44 -33.07 -30.66 -22.29 -22.29 -26.58 -28.56 -33.17 -28.64 653 1-Methyladamantane -41.41 -44.05 -44.16 failed -40.66 -11.05 -31.90 -32.34 -24.11 -19.30 -30.53 -34.81 -20.96 -38.41 -31.79 -40.47 -35.88 -36.23 -39.63 -40.18 -46.79 -45.52 -42.30 -39.62 -29.61 -30.33 -35.61 -37.93 -41.30 -36.30 654 1,3-Dimethyladamantane -52.28 -54.20 -54.45 failed -50.39 -16.90 -39.51 -39.92 -30.55 -25.63 -38.91 -42.14 -27.57 -46.08 -38.57 -48.86 -44.49 -45.02 -48.00 -48.72 -55.84 -54.58 -51.46 -48.56 -36.86 -38.33 -44.61 -47.27 -49.35 -43.95 655 2,2-Dimethyladamantane -43.68 -46.29 -46.38 -42.67 -42.33 -7.80 -31.03 -31.37 -22.78 -16.62 -30.91 -32.77 -18.57 -37.49 -30.53 -41.61 -36.74 -37.26 -39.70 -40.51 -47.80 -46.66 -43.49 -40.75 -28.01 -29.67 -36.43 -39.49 -42.62 -38.24 656 trans-anti-trans-Tetradecahydroanthracene -52.72 -52.93 -52.86 failed -48.45 -18.43 -41.81 -42.18 -31.46 -27.14 -39.72 -43.93 -29.19 -47.98 -39.45 -49.28 -45.34 -46.08 -50.57 -51.02 -56.92 -55.17 -51.76 -49.37 -38.31 -38.56 -44.48 -47.50 -53.15 -49.05 657 trans-syn-trans-Tetradecahydroanthracene -58.13 -50.67 -50.70 failed -46.15 -15.37 -39.00 -39.35 -28.76 -24.10 -37.47 -40.73 -26.17 -45.11 -36.66 -47.11 -42.99 -43.77 -47.98 -48.64 -54.55 -52.87 -49.40 -47.05 -35.34 -35.81 -42.13 -45.23 -51.44 -47.42 658 Diadamantane -34.87 -41.95 -42.13 failed -37.14 11.87 -21.96 -22.66 -10.55 -2.62 -20.34 -28.03 -5.21 -34.06 -24.27 -37.97 -28.99 -29.60 -35.26 -36.52 -47.83 -45.51 -39.88 -35.09 -19.84 -19.63 -28.02 -31.32 -39.95 -32.07 659 1-Methyldiamantane -39.84 -49.99 -50.28 failed -44.65 9.48 -26.55 -27.19 -14.12 -5.60 -26.26 -31.90 -8.51 -38.67 -28.11 -44.14 -35.21 -36.05 -40.86 -42.43 -54.51 -52.14 -46.76 -41.65 -23.92 -24.73 -34.57 -38.40 -45.85 -38.00 660 3-Methyldiamantane -37.60 -48.41 -48.62 failed -43.09 9.31 -26.18 -26.85 -13.94 -5.62 -25.47 -31.76 -8.43 -38.30 -27.87 -43.27 -34.04 -34.85 -40.18 -41.73 -53.53 -51.14 -45.58 -40.60 -23.59 -24.05 -33.50 -37.16 -44.85 -37.34 661 4-Methyldiamantane -43.52 -52.05 -52.31 failed -46.83 6.01 -29.53 -30.21 -16.97 -8.96 -28.70 -35.34 -11.82 -41.70 -31.03 -46.32 -37.55 -38.34 -43.61 -45.04 -56.93 -54.55 -49.07 -43.99 -27.08 -27.61 -36.99 -40.61 -48.06 -39.59 662 Bicyclo[4.1.0]heptane 0.36 3.25 3.19 3.88 5.36 10.81 2.64 1.87 4.57 8.74 7.24 0.95 8.49 0.67 2.81 1.66 2.34 2.35 0.17 0.89 -0.71 0.41 2.01 3.03 5.57 6.21 5.55 4.76 -2.94 1.36 663 cis-3,7,7-Trimethylbicyclo[4.1.0]heptane -16.68 -15.08 -15.25 -13.56 -12.03 0.38 -12.17 -12.85 -7.96 -2.47 -8.02 -12.91 -3.26 -13.87 -9.98 -14.34 -12.99 -13.30 -15.28 -14.98 -17.59 -16.34 -14.82 -13.31 -7.38 -8.22 -10.87 -12.32 -22.31 -14.53 664 trans-3,7,7-Trimethylbicyclo[4.1.0]heptane -17.23 -14.76 -14.92 -13.17 -11.69 1.09 -11.56 -12.24 -7.34 -1.80 -7.61 -12.21 -2.61 -13.27 -9.37 -13.93 -12.68 -12.99 -14.84 -14.57 -17.22 -15.97 -14.45 -12.92 -6.78 -7.71 -10.48 -11.94 -22.31 -14.02 665 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 6.76 5.17 5.48 8.50 8.92 24.27 11.61 11.02 14.99 21.68 15.05 11.30 20.92 10.17 13.31 8.16 12.25 11.99 9.27 8.74 5.52 6.04 7.34 8.95 16.62 15.26 12.09 11.43 1.31 5.84 666 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane 9.25 7.63 7.94 10.94 11.57 27.26 14.84 14.33 18.34 24.50 17.42 14.82 23.65 13.30 16.50 10.99 14.38 14.12 11.60 11.18 7.88 8.47 9.63 11.15 19.23 17.98 14.60 13.52 3.36 8.57 667 Spiro[4.5]undecane -34.68 -37.81 -37.88 failed -34.87 -17.66 -31.74 -32.15 -26.05 -22.27 -29.51 -32.78 -23.36 -35.01 -30.13 -35.78 -32.75 -33.06 -36.19 -36.60 -40.02 -39.00 -37.07 -35.67 -28.53 -29.37 -32.76 -34.42 -39.32 -37.12 668 cis-Octahydro-1H-indene -30.38 -27.48 -27.43 failed -25.08 -12.09 -24.25 -24.70 -19.61 -15.94 -20.96 -25.71 -16.73 -27.24 -23.15 -27.05 -23.45 -23.61 -27.31 -27.74 -30.64 -29.66 -27.69 -26.45 -21.15 -21.34 -23.66 -24.78 -32.29 -29.73 669 trans-Octahydro-1H-indene -31.43 -31.51 -31.48 -30.67 -29.01 -15.70 -28.01 -28.48 -23.12 -19.74 -24.69 -29.72 -20.56 -31.18 -26.90 -30.74 -27.47 -27.64 -31.27 -31.57 -34.41 -33.43 -31.49 -30.26 -25.06 -25.23 -27.51 -28.73 -32.65 -30.55 670 Bicyclo[3.3.2]decane -25.36 -23.22 -23.04 -21.86 -20.15 -2.86 -17.22 -17.40 -10.95 -7.26 -16.20 -16.83 -8.46 -19.83 -14.62 -21.59 -19.38 -19.72 -21.94 -22.36 -25.90 -24.93 -22.90 -21.62 -13.65 -14.43 -18.67 -20.88 -26.57 -22.39 671 Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 75.29 72.10 74.33 79.64 76.46 75.97 69.96 70.10 73.09 78.66 73.21 73.23 78.44 74.92 77.38 73.22 80.64 80.55 82.00 80.59 79.70 78.48 79.29 79.33 81.36 75.78 73.19 74.35 71.76 73.65 672 Bicyclo[5.1.0]octane -3.97 -2.33 -2.32 -1.42 0.29 7.43 -1.91 -2.62 1.05 5.04 2.13 -3.15 4.57 -3.81 -0.91 -3.18 -2.90 -2.98 -5.14 -4.39 -6.04 -4.83 -3.18 -2.19 1.33 1.67 0.32 -0.91 -7.48 -3.40 673 Bicyclo[5.3.0]decane -31.26 -29.61 -29.54 -28.48 -26.58 -11.13 -24.87 -25.24 -19.10 -15.38 -22.46 -25.47 -16.43 -27.73 -22.81 -28.35 -25.36 -25.68 -29.02 -29.45 -32.48 -31.40 -29.45 -28.20 -21.30 -21.85 -25.18 -26.92 -33.96 -31.20 674 Bicyclo[3.2.2]non-6-ene -0.84 1.04 1.56 3.25 4.55 17.10 6.39 6.18 10.49 14.01 8.12 6.20 13.27 4.36 7.85 3.29 6.44 6.34 3.59 3.25 -0.05 0.31 2.24 3.32 9.12 8.83 6.05 5.30 -3.95 -0.94 675 Tricyclo[4.3.1.0(3,8)]decane -20.53 -23.35 -23.29 -21.20 -20.32 4.58 -14.52 -15.09 -8.60 -2.55 -11.37 -17.31 -3.86 -20.41 -15.14 -21.93 -16.61 -16.80 -20.58 -21.19 -27.08 -25.74 -22.84 -20.39 -11.57 -11.80 -15.91 -17.69 -24.19 -19.91 676 Bicyclo[3.3.3]undecane -21.25 -19.48 -19.27 failed -16.05 1.44 -13.85 -14.02 -6.25 -2.79 -13.01 -12.83 -4.17 -15.82 -9.65 -17.69 -14.93 -15.50 -18.55 -19.13 -22.22 -20.88 -18.96 -17.65 -9.18 -10.15 -15.09 -17.52 -21.96 -15.16 677 cis-Bicyclo[6.1.0]nonane -7.43 -5.96 -5.94 failed -3.03 6.31 -4.55 -5.21 -0.71 3.55 -1.07 -5.21 2.86 -6.39 -2.84 -6.46 -6.41 -6.62 -8.53 -7.92 -9.68 -8.38 -6.74 -5.73 -0.80 -0.76 -2.94 -4.53 -10.93 -7.11 678 Tricyclo[8.2.2.2(4,7)]hexadecane -36.42 -26.18 -25.67 failed -20.43 17.43 -10.71 -10.70 1.21 8.68 -12.39 -8.23 5.96 -15.11 -5.49 -22.12 -18.22 -19.66 -21.15 -23.63 -29.48 -27.69 -24.85 -22.80 -4.15 -6.18 -16.35 -20.79 -39.45 -31.90 679 1,8-Dimethylnaphthalene 25.98 23.14 24.84 failed 28.04 30.31 23.84 24.06 26.32 29.43 24.27 24.89 28.92 24.79 26.72 22.72 29.29 29.07 27.40 26.94 25.80 24.54 26.61 26.70 28.74 26.61 24.11 24.62 25.89 25.96 680 2,3-Dimethylnaphthalene 18.19 16.54 18.11 failed 21.35 22.25 16.34 16.50 18.94 21.31 17.05 16.61 20.88 16.98 19.02 15.74 22.17 21.98 19.97 19.49 18.53 17.24 19.46 19.54 20.75 19.07 17.01 17.77 21.48 21.18 681 1,4,5,8-Tetramethylnaphthalene 19.50 16.09 17.83 failed 21.26 28.76 18.60 18.87 22.79 27.54 18.95 20.98 26.66 20.15 23.40 16.72 23.75 23.29 22.18 21.64 20.00 18.43 20.89 21.10 25.79 22.20 18.01 18.25 14.90 14.26 682 9,10-Diphenylanthracene 111.28 93.20 failed failed 104.52 123.69 104.22 105.16 111.03 117.93 99.45 105.02 116.13 103.24 108.29 93.80 112.76 111.51 107.76 104.08 100.03 96.77 103.29 104.21 112.96 107.26 98.05 100.94 108.56 105.45 683 9,9-Bianthracene 108.58 99.88 failed failed failed 135.99 111.60 112.61 120.23 129.09 107.17 112.03 126.95 110.44 116.89 99.69 123.45 121.83 119.29 114.79 109.34 106.08 113.88 115.58 124.28 116.47 105.54 108.70 120.57 118.59 684 2,7-Dimethylphenanthrene 34.20 28.53 30.88 37.31 34.91 40.34 29.69 29.98 33.93 37.47 30.19 29.25 36.64 29.26 32.56 26.92 37.16 36.79 33.60 32.89 30.73 29.00 32.89 33.39 35.43 33.33 29.78 30.80 34.23 34.99 685 4,5-Dimethylphenanthrene 46.27 41.83 44.14 failed 48.10 57.77 45.41 45.78 50.11 55.25 45.11 46.56 54.23 45.90 49.53 41.65 51.36 50.84 49.53 48.33 45.72 43.92 47.38 47.97 52.82 49.30 44.35 45.25 46.68 45.60 686 9,10-Dimethylphenanthrene 39.94 32.73 35.23 failed 38.98 47.78 35.56 35.97 39.72 44.48 35.31 36.11 43.44 35.14 38.34 31.23 41.55 41.08 38.73 38.03 35.52 33.63 37.40 37.87 41.66 39.00 34.54 35.26 39.62 39.93 687 3,4,5,6-Tetramethylphenanthrene 37.50 26.10 28.28 failed 32.68 47.45 31.34 31.72 37.93 44.32 30.80 33.28 42.94 32.08 37.19 26.66 36.87 36.05 35.35 33.88 30.76 28.63 32.53 33.27 40.68 35.93 29.30 30.03 30.59 28.34 688 2,4,5,7-Tetramethylphenanthrene 30.21 25.44 27.39 failed 32.16 44.34 29.41 29.72 35.85 41.43 29.52 30.66 40.21 30.02 35.05 25.76 36.18 35.44 33.73 32.39 29.59 27.64 31.64 32.43 38.33 34.06 28.21 29.18 26.30 25.92 689 1,12-Dimethylbenz-a-anthracene 60.11 57.20 failed failed 65.41 80.40 62.69 63.23 69.25 76.26 62.10 63.81 74.77 62.71 67.74 56.72 70.52 69.71 68.31 66.61 62.80 60.42 65.48 66.42 72.71 67.82 60.89 62.01 65.54 64.76 690 3,9-Dimethylbenza-a-anthracene 45.10 44.32 47.30 failed 52.34 61.91 46.45 46.89 52.56 57.63 47.13 45.76 56.39 45.64 50.35 42.21 56.45 55.88 52.15 51.10 47.87 45.64 51.17 52.01 54.73 51.60 46.47 47.76 52.10 53.70 691 7,12-Dimethylbenz-a-anthracene 66.37 55.81 59.01 failed 63.67 78.29 60.57 61.15 66.79 73.97 60.35 61.62 72.48 60.41 65.18 54.60 69.08 68.31 66.41 64.97 61.22 58.79 64.01 64.87 70.45 65.73 59.08 60.19 63.77 63.67 692 Tetracene 69.65 69.50 72.78 failed 77.44 82.06 69.71 70.18 74.34 79.52 71.29 69.55 78.62 70.28 73.80 67.46 81.90 81.54 79.00 77.73 75.16 73.15 77.96 78.60 79.08 75.43 71.45 72.95 80.47 82.39 693 Chrysene 64.48 58.31 61.51 69.42 66.03 74.12 60.85 61.36 65.05 69.73 60.44 60.03 68.61 59.43 62.64 55.46 69.01 68.60 65.14 64.26 61.04 58.95 63.92 64.60 66.90 64.56 60.05 61.21 69.87 70.92 694 5,6-Dimethylbenzo-a-phenanthrene 62.72 51.37 failed failed 59.25 74.29 56.50 57.06 62.65 69.47 55.82 57.12 67.96 55.71 60.44 49.83 64.11 63.34 61.02 59.58 55.77 53.34 58.65 59.55 65.38 61.08 54.40 55.58 60.06 59.94 695 Tetraphene 69.60 60.83 64.07 72.10 68.39 75.50 62.64 63.13 66.98 71.61 62.84 61.86 70.57 61.70 65.01 58.23 71.83 71.43 68.13 67.16 64.09 62.10 66.98 67.70 69.41 66.97 62.72 63.94 72.29 73.45 696 Biphenylene 99.88 96.40 98.51 103.61 101.68 100.45 93.61 93.25 93.92 100.45 99.76 92.94 100.40 94.51 95.12 94.59 102.96 102.92 98.74 98.14 96.96 98.05 98.55 100.19 100.25 99.55 99.18 99.74 98.34 106.27 697 1,1-Dimethylindane -0.38 -3.26 -2.46 1.24 0.47 9.90 0.92 0.78 4.40 7.40 1.81 0.28 6.73 -0.33 2.62 -1.73 3.23 2.99 0.02 -0.81 -2.91 -3.13 -1.36 -0.44 4.02 2.68 -0.03 0.09 -0.50 0.25 698 4,6-Dimethylindane -1.39 -2.96 -2.19 0.86 0.45 5.86 -2.81 -3.07 0.65 3.84 -0.05 -3.83 3.40 -3.74 -0.75 -3.78 1.94 1.72 -1.97 -2.68 -4.14 -4.42 -2.28 -1.50 1.25 0.59 -1.30 -0.79 -7.16 -6.24 699 4,7-Dimethylindane -1.77 -3.64 -2.84 0.17 -0.35 5.80 -3.11 -3.36 0.45 3.69 -0.66 -4.00 3.20 -4.06 -0.98 -4.37 1.24 1.00 -2.50 -3.26 -4.76 -5.06 -2.92 -2.14 0.96 0.19 -1.93 -1.47 -6.00 -5.90 700 1,1,4,6-Tetramethylindane -16.85 -19.32 -18.75 failed -15.06 -2.57 -14.36 -14.53 -9.03 -5.51 -13.38 -14.69 -6.42 -15.43 -11.03 -17.19 -11.66 -12.15 -15.28 -16.32 -18.70 -19.08 -16.79 -15.64 -9.71 -11.87 -15.72 -15.60 -19.53 -18.77 701 1,1,4,7-Tetramethylindane -14.94 -18.16 -17.42 failed -13.95 0.35 -12.10 -12.23 -6.61 -2.79 -11.83 -11.90 -3.84 -13.14 -8.62 -15.70 -10.43 -10.96 -13.66 -14.67 -17.21 -17.60 -15.37 -14.27 -7.35 -9.80 -14.22 -14.40 -18.03 -17.27 702 Acenaphthylene 62.07 58.85 60.90 failed 64.58 67.20 59.36 59.31 60.90 65.59 62.42 58.12 65.24 59.01 60.40 57.98 67.56 67.51 64.50 63.54 61.54 61.24 63.29 64.43 64.77 63.06 61.52 62.62 70.38 72.15 703 9,10-Dihydroanthracene 38.17 35.24 37.14 failed 40.54 48.01 37.63 37.76 41.60 44.43 38.39 36.31 43.64 35.81 38.99 34.32 42.10 41.82 37.49 36.76 34.29 33.32 36.55 37.28 40.46 40.62 37.71 38.45 35.98 36.84 704 5,12-Dihydronaphthacene 53.13 48.91 51.54 failed 56.32 67.72 52.50 52.78 58.27 62.47 53.20 50.74 61.25 49.98 54.53 47.35 58.97 58.49 53.52 52.49 48.90 47.44 52.30 53.40 57.37 56.71 52.22 53.18 51.89 53.57 705 9,10-Dihydro-9,10[1',2']benzenoanthracene 76.91 70.31 72.88 failed 78.41 101.79 80.79 80.90 86.65 94.34 81.13 77.68 92.82 76.30 81.17 70.87 86.23 85.47 79.43 77.16 70.60 69.62 74.86 77.49 85.77 83.95 77.42 79.42 80.06 79.62 706 1,2,3,4,5,6,7,8-Octahydroanthracene -8.89 -10.22 -9.26 failed -5.80 10.66 -5.99 -6.17 1.16 4.77 -3.54 -8.11 3.54 -9.87 -3.99 -10.44 -3.83 -4.24 -9.30 -9.75 -13.36 -13.41 -9.25 -7.88 -2.14 -2.07 -6.03 -6.46 -15.35 -12.95 707 2,2-Metacyclophane 40.75 34.80 36.98 failed 41.73 59.75 44.35 44.76 50.24 55.74 41.39 45.95 54.28 43.58 48.15 36.97 45.22 44.59 43.47 41.37 37.85 36.05 39.51 39.92 50.23 46.89 39.92 40.44 38.78 36.36 708 2,2-Paracyclophane 58.34 52.88 55.41 failed 60.17 79.04 63.69 64.16 70.04 76.25 59.23 66.95 74.84 64.50 69.34 56.06 64.48 63.84 63.42 60.43 57.13 55.08 58.41 58.85 71.17 66.52 58.13 59.61 50.96 47.63 709 2,2-Metaparacyclophane 52.20 41.84 44.18 failed 48.99 69.44 53.57 54.02 59.56 65.68 49.16 56.08 64.17 53.26 57.86 44.98 53.05 52.41 52.26 49.64 45.98 43.98 47.24 47.72 59.94 55.64 47.55 48.57 46.49 43.30 710 3,3-Paracyclophane 30.98 20.74 22.89 failed 28.15 50.40 33.06 33.52 41.10 45.46 27.02 35.57 43.59 32.09 38.22 23.67 31.41 30.32 28.32 25.44 22.69 21.40 25.03 25.67 38.64 35.05 25.88 26.58 23.68 18.92 711 1,8-Paracyclophane 6.93 4.81 failed failed 13.09 36.72 16.43 16.97 26.30 30.94 12.67 18.72 28.66 15.32 22.84 8.33 16.91 15.16 11.62 9.21 6.15 5.23 9.29 9.90 23.12 19.83 10.82 10.29 9.21 3.86 712 6,6-Paracyclophane -18.57 -8.97 failed failed failed 24.42 1.47 2.13 13.02 17.83 -0.34 3.80 15.22 0.16 8.91 -5.55 3.24 1.13 -3.71 -5.51 -8.86 -9.44 -5.14 -4.66 8.91 6.39 -2.50 -4.29 -11.20 -16.80 713 2-Methyladamantane -36.83 -40.34 -40.37 failed -36.86 -7.78 -28.59 -29.03 -21.16 -15.99 -27.25 -31.29 -17.60 -35.06 -28.71 -37.43 -32.44 -32.79 -36.25 -36.86 -43.38 -42.12 -38.79 -36.23 -26.17 -26.78 -32.08 -34.44 -38.08 -33.84 714 1-Ethyladamantane -45.51 -47.97 -48.11 failed -44.25 -12.47 -34.69 -35.11 -26.30 -21.09 -33.78 -37.16 -22.91 -41.24 -34.16 -44.01 -39.20 -39.71 -43.07 -43.77 -50.57 -49.23 -45.93 -43.21 -31.96 -33.02 -39.01 -41.65 -44.30 -40.10 715 1,3,5-Trimethyladamantane -61.70 -64.34 -64.74 failed -60.13 -22.67 -47.02 -47.41 -36.91 -31.89 -47.24 -49.37 -34.10 -53.66 -45.27 -57.21 -53.11 -53.83 -56.34 -57.27 -64.97 -63.60 -60.67 -57.44 -44.04 -46.27 -53.57 -56.56 -57.33 -51.57 716 1,3,5,7-Tetramethyladamantane -69.12 -74.49 -75.02 failed -69.81 -28.37 -54.49 -54.85 -43.25 -38.10 -55.57 -56.55 -40.58 -61.21 -51.95 -65.57 -61.65 -62.58 -64.60 -65.75 -74.03 -72.62 -69.84 -66.33 -51.17 -54.17 -62.51 -65.84 -65.21 -59.17 717 1,1'-Bi(adamantane) -57.98 -62.27 failed failed -55.09 16.85 -30.66 -31.23 -13.96 -2.64 -31.83 -35.54 -6.73 -45.50 -31.53 -54.29 -43.44 -45.09 -50.41 -52.84 -67.61 -64.59 -57.83 -51.72 -26.67 -28.12 -42.05 -47.85 -59.46 -49.85 718 3a,4,7,7a-tetrahydro-1H-indene 26.09 25.17 26.29 27.85 29.68 36.98 29.28 28.96 32.34 35.02 31.68 28.77 34.56 27.90 30.53 27.95 30.94 30.88 27.13 26.88 24.44 24.87 26.29 27.11 31.23 32.19 30.63 30.48 15.72 18.79 719 5-Ethenylbicyclo[2.2.1]hept-2-ene 38.00 35.57 36.55 39.08 39.92 50.75 42.28 41.73 43.50 49.09 45.80 41.70 48.66 40.97 42.38 39.85 43.90 43.85 40.78 40.44 37.22 37.80 38.35 39.54 45.28 44.70 43.19 43.07 38.76 40.56 720 3,3-Dimethylbicyclo[3.2.0]hepta-1,4-diene 56.50 55.54 56.33 59.07 59.60 63.66 56.25 55.49 58.11 64.14 62.54 56.24 64.05 57.15 59.16 57.90 61.66 61.60 57.65 57.28 55.79 56.81 57.10 58.61 62.23 61.75 60.96 61.12 45.51 52.13 721 Trispiro[2.0.2(4).0.2(7).0(3)]nonane 101.20 104.74 103.66 107.13 107.40 108.65 95.81 93.59 95.07 107.48 108.53 91.43 107.68 94.03 95.09 95.80 95.81 95.71 93.29 95.28 93.80 97.02 99.83 102.41 103.90 106.65 107.02 106.30 79.11 91.47 722 Trispiro[2.0.0.2(5).1(4).1(3)]nonane 102.70 105.11 104.11 107.51 107.70 108.81 95.96 93.73 95.24 107.61 108.79 91.55 107.81 94.13 95.20 96.02 95.92 95.83 93.36 95.38 93.99 97.17 100.03 102.58 103.99 106.92 107.38 106.65 78.57 91.41 723 Tricyclo[5.2.1.0(4,10)]deca-2,5,8-triene 53.50 56.19 57.69 60.37 61.84 74.62 63.96 63.37 66.63 71.12 67.09 61.89 70.57 60.72 63.24 60.15 65.88 65.84 59.99 59.69 55.53 56.18 58.42 60.07 65.39 66.92 65.00 65.32 47.21 52.23 724 (But-1-yn-1-yl)benzene 59.42 60.37 61.39 64.64 63.45 56.48 59.16 59.34 58.47 58.93 60.01 60.90 59.25 61.97 61.33 62.15 63.01 63.00 62.23 62.47 62.88 62.46 62.29 61.79 60.75 59.34 59.84 60.71 62.76 63.43 725 (2-Methylidenecyclopropyl)benzene 70.00 68.34 69.55 73.17 72.67 68.82 65.97 65.59 66.00 69.84 69.02 66.30 69.92 67.50 67.83 67.17 69.62 69.54 67.72 68.02 67.65 67.63 68.57 68.77 69.78 70.31 69.89 70.39 61.15 63.90 726 Tricyclo[6.2.0.0(3,6)]deca-1,3(6),7-triene 74.00 72.02 73.04 76.45 75.29 78.70 68.52 67.50 69.43 77.55 77.17 66.29 77.52 67.54 69.03 68.73 76.16 76.13 70.06 69.51 68.42 70.10 71.12 73.15 75.23 75.80 75.59 75.64 62.17 71.48 727 Tricyclo[3.3.2.0(2,8)deca-3,6,9-triene] 79.85 78.47 79.84 83.69 84.47 92.12 82.83 82.38 85.65 90.66 86.16 82.81 90.24 82.24 84.83 81.40 83.54 83.49 80.61 81.57 78.20 78.56 80.95 82.21 86.55 87.38 85.22 85.03 62.07 70.14 728 3,4-Dimethylidenebicyclo[4.2.0]octa-1,5-diene 85.80 83.83 85.42 89.06 89.54 86.38 82.84 82.57 83.89 88.65 87.13 84.64 88.72 86.02 86.96 85.79 91.04 90.98 87.86 87.69 86.87 86.72 87.63 88.09 89.44 89.40 88.65 89.08 69.53 75.88 729 2,7-Dimethylocta-1,7-dien-3,5-diyne 118.10 118.85 119.36 123.64 123.49 104.22 114.43 114.81 112.30 113.02 116.50 120.56 114.03 123.86 121.73 124.37 122.18 122.20 125.03 125.37 127.43 127.17 124.65 123.38 120.15 115.68 117.29 118.38 115.10 117.69 730 (4-Cyclopropylbuta-1,3-diyn-1,yl)cyclopropane 134.30 140.40 140.31 143.90 144.05 132.86 133.44 132.61 131.06 137.12 141.40 134.75 137.90 137.44 136.11 139.37 135.02 135.09 136.97 138.97 139.60 141.32 140.69 140.91 139.24 137.75 139.79 139.89 131.52 139.51 731 1,2,4,5-Tetramethylbenzene -11.30 -12.67 -11.95 -9.29 -9.65 -9.28 -13.31 -13.31 -10.68 -8.98 -12.39 -12.19 -9.24 -11.73 -9.61 -12.27 -9.12 -9.32 -10.78 -11.09 -11.22 -12.29 -11.13 -11.29 -9.27 -11.03 -12.69 -12.19 -12.33 -13.92 732 Tricyclo[5.2.1.0(4,10)]dec-2-ene 3.00 5.75 6.27 8.25 9.66 27.40 12.17 11.47 16.86 22.29 16.13 9.59 21.39 7.73 12.04 7.27 13.36 13.20 7.62 6.83 2.38 3.61 6.23 8.29 15.23 15.77 12.86 12.18 -4.91 0.33 733 1,2,3,4-Tetramethyl-5-methylidenecyclopenta-1,3-diene 19.90 15.29 16.01 18.95 19.74 19.72 16.05 15.85 18.37 21.14 17.97 17.75 21.00 18.59 20.49 17.99 21.45 21.24 19.41 18.95 18.73 18.14 18.85 19.01 21.36 19.62 18.01 18.60 14.79 16.14 734 Cyclohexylbenzene -3.98 -6.10 -5.13 -2.11 -1.75 7.27 -2.29 -2.29 1.88 4.22 -1.67 -2.57 3.39 -3.83 -0.43 -5.03 -0.71 -1.02 -4.18 -4.60 -6.69 -6.78 -4.71 -4.17 0.37 -0.36 -3.14 -3.72 -1.90 -1.90 735 (E)-[1,1'-bi(cyclohexylidene)]-2,2'-diene 21.80 22.14 23.40 26.16 27.63 33.46 23.83 23.80 28.46 32.17 26.61 24.97 31.50 24.36 28.01 23.68 28.91 28.63 25.82 25.68 23.60 23.31 25.72 26.14 29.72 29.05 26.41 26.26 13.93 17.03 736 (Z)-[1,1'-bi(cyclohexylidene)]-2,2'-diene 22.10 22.49 23.80 26.41 27.99 33.89 24.25 24.22 28.89 32.53 26.97 25.34 31.85 24.69 28.35 24.02 29.17 28.89 25.95 25.82 23.72 23.44 25.87 26.29 29.93 29.41 26.78 26.63 13.93 17.04 737 Tricyclo[4.2.2.2(2,5)]dodeca-3,7-diene_1 34.10 34.09 35.31 38.89 39.77 64.72 46.92 46.83 52.60 59.37 47.13 47.63 58.03 43.59 48.33 38.86 43.83 43.49 41.23 40.11 33.79 34.05 36.88 38.88 50.61 49.88 44.02 43.26 22.64 27.10 738 Tricyclo[4.2.2.2(2,5)]dodeca-3,7-diene_2 36.70 36.63 37.92 41.24 42.30 66.08 48.43 48.32 54.34 61.24 49.23 49.40 59.93 45.70 50.61 41.31 46.73 46.39 43.81 42.65 36.53 36.93 39.61 41.69 52.95 51.92 46.16 45.39 23.83 29.15 739 Tricyclo[4.4.2.0(1,6)]dodeca-2,4-diene 37.61 31.38 32.08 36.03 37.12 55.96 40.54 40.16 46.37 51.63 42.26 40.11 50.48 37.86 42.79 35.50 40.37 40.01 35.27 34.71 30.24 31.01 33.76 35.68 44.42 44.42 39.91 38.72 14.78 21.60 740 Pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]dodecane 44.34 42.47 42.59 46.43 46.87 78.03 50.79 48.92 55.03 68.98 60.71 44.80 67.60 42.43 47.34 40.93 46.29 46.02 41.58 42.18 34.80 38.08 41.44 45.78 56.88 57.98 54.07 52.09 40.68 51.23 741 5-Methylidenecyclopenta-1,3-diene 53.60 49.94 51.29 52.90 53.91 47.90 50.24 50.09 48.82 50.48 52.17 51.28 50.87 52.63 51.59 52.90 55.19 55.29 54.00 53.75 53.76 53.69 52.96 52.90 52.47 51.94 52.76 53.44 53.70 55.06 742 3,4-Dimethylidencyclobut-1-ene 80.40 79.44 80.70 82.89 83.64 74.63 77.81 77.40 75.44 78.68 81.31 79.37 79.28 81.46 79.77 81.78 84.05 84.13 82.51 82.22 83.08 83.71 82.22 82.37 81.82 81.53 82.75 83.16 76.48 83.81 743 Hexa-2,4-diyne 90.20 89.11 88.66 91.83 90.83 75.05 84.25 84.06 82.12 82.38 87.13 88.74 83.44 91.12 89.45 93.08 88.85 88.94 91.57 91.87 93.53 94.04 91.80 91.08 87.67 85.04 87.27 88.29 87.70 89.18 744 3-Methylidenecyclopent-1-ene 27.60 25.74 26.60 27.58 28.88 24.40 24.72 24.48 24.53 26.03 26.97 25.27 26.31 26.21 26.20 26.93 29.17 29.24 27.44 27.16 27.04 27.00 27.01 26.96 27.04 27.21 27.68 28.21 22.02 23.25 745 Bicyclo[3.1.0]hex-2-ene 37.80 36.46 36.96 37.98 39.22 40.74 35.74 34.86 35.42 40.18 41.07 34.06 40.30 34.69 35.09 35.80 36.73 36.84 34.84 35.49 34.25 35.19 35.94 36.86 38.37 39.34 39.81 39.88 32.83 36.76 746 1,2-Dimethylidenecyclobutane 48.80 49.31 50.03 51.58 52.51 45.22 46.72 46.33 45.85 48.23 49.73 47.86 48.71 49.48 49.00 50.15 52.45 52.51 49.87 49.54 50.20 50.38 50.02 49.97 50.07 50.55 51.25 51.74 35.91 40.52 747 anti-Hexa-2,3,4-triene 63.30 61.25 61.88 63.66 64.03 46.45 53.53 53.53 52.22 53.42 56.90 57.51 54.36 60.70 59.52 62.18 62.02 62.08 63.52 63.18 65.29 65.32 63.21 62.45 59.48 58.36 59.99 61.07 58.40 57.45 748 syn-Hexa-2,3,4-triene 63.30 61.26 61.89 63.64 64.04 46.46 53.54 53.54 52.23 53.43 56.89 57.52 54.36 60.70 59.53 62.17 62.03 62.08 63.52 63.16 65.28 65.31 63.20 62.44 59.49 58.37 59.99 61.07 58.42 57.40 749 5-Methylidenecyclohexa-1,4-diene 46.99 42.40 43.74 45.38 46.70 40.69 42.08 42.12 42.38 43.08 43.25 43.81 43.31 44.81 44.95 45.10 46.92 46.97 45.55 45.54 45.46 44.94 45.15 44.77 44.59 44.80 44.90 45.49 35.17 36.70 750 5-Ethylidenecyclopenta-1,3-diene 44.20 41.70 42.95 44.66 45.81 39.67 40.62 40.42 40.07 42.18 43.31 41.77 42.49 43.23 42.89 43.76 46.51 46.56 45.05 44.83 44.99 44.88 44.43 44.38 44.07 43.27 43.82 44.48 44.18 44.91 751 Spiro[2.4]hepta-4,6-diene 56.80 53.06 53.80 55.62 56.82 55.66 51.68 50.89 51.08 56.25 57.11 50.74 56.44 52.03 52.16 52.82 54.16 54.23 52.69 53.07 52.25 53.11 53.45 54.30 55.51 55.82 56.25 56.53 52.44 56.60 752 Bicyclo[2.2.1]hepta-2,5-diene 58.40 55.65 56.74 58.69 59.30 67.05 60.59 59.90 60.14 66.46 65.70 59.80 66.42 59.78 59.98 59.44 63.21 63.32 60.38 60.19 57.44 57.91 58.16 59.34 63.65 63.31 63.02 63.62 57.03 59.14 753 Bicyclo[3.2.0]hepta-2,6-diene 63.20 61.24 62.29 63.63 65.12 67.62 62.90 62.16 62.83 67.55 67.73 62.00 67.63 62.45 62.87 63.03 66.18 66.26 62.17 62.21 60.83 61.66 62.06 63.03 65.71 66.51 66.63 66.75 53.42 59.70 754 Tetracyclo[4.1.0.0(2,4)0(3,5)]heptane 88.40 87.10 87.39 89.65 90.24 99.63 85.35 83.07 83.84 96.52 97.73 80.01 96.48 81.09 81.63 82.58 82.42 82.54 80.70 83.00 79.89 82.77 84.66 87.44 91.24 93.19 93.81 93.18 92.49 105.35 755 Tricyclo[3.2.0.0(2,4)]hept-6-ene 91.76 88.21 88.83 90.69 91.81 97.36 87.74 86.14 86.70 96.40 97.33 84.88 96.47 85.98 86.29 87.03 89.41 89.51 85.43 86.31 84.76 86.80 87.36 89.34 93.18 94.21 94.70 94.27 83.91 95.10 756 Bicyclo[3.2.1]octa-2,6-diene 37.70 33.73 34.78 36.84 37.85 46.71 39.37 38.98 40.98 44.90 42.07 38.66 44.57 37.83 39.41 37.28 40.63 40.68 37.59 37.54 34.48 34.65 35.96 36.93 41.20 41.53 40.25 40.38 29.99 32.37 757 Tetracyclo[3.3.0.0(2,8).0(4,6)]octane 43.00 41.22 41.34 43.32 44.21 58.71 41.93 40.17 43.29 53.31 51.97 36.12 52.89 35.99 38.47 37.47 40.55 40.62 36.57 37.76 33.56 36.07 38.86 41.88 46.19 48.44 47.86 47.32 37.76 47.73 758 Bicyclo[4.2.0]octa-2,4-diene 45.23 45.30 46.29 47.98 49.57 51.90 46.68 46.26 48.11 51.57 49.98 46.55 51.46 46.59 48.01 46.80 50.14 50.15 46.04 46.02 44.61 44.99 46.29 46.97 49.59 50.40 49.67 49.64 27.79 32.44 759 (1Z,3Z,6Z)-cycloocta-1,3,6-triene 46.92 47.67 49.14 51.08 52.53 50.16 49.90 49.99 51.29 51.95 49.93 52.47 51.92 52.38 53.32 51.76 52.23 52.21 50.70 50.87 50.48 49.89 50.17 49.68 51.94 52.13 51.16 51.42 36.87 38.23 760 Bicyclo[4.2.0]octa-1,5-diene 53.10 52.33 53.19 55.02 55.96 56.06 50.64 50.09 52.18 56.28 55.80 50.36 56.31 51.09 52.67 52.30 56.15 56.16 51.84 51.70 50.73 51.37 52.42 53.29 54.90 56.16 55.94 56.14 34.56 40.60 761 exo-Tricyclo[3.2.1.0(2,4)]oct-6-ene 55.10 52.46 53.13 55.37 55.89 69.63 56.59 55.35 56.91 66.49 64.42 53.67 66.12 53.31 54.58 53.02 56.91 56.97 53.98 54.45 50.53 52.03 53.26 55.46 61.11 61.32 60.41 60.20 55.13 60.64 762 endo-Tricyclo[3.2.1.0(2,4)]oct-6-ene 57.10 54.52 55.20 57.51 57.93 71.60 58.47 57.23 58.82 68.62 66.33 55.78 68.26 55.38 56.67 54.95 58.77 58.84 56.10 56.52 52.53 53.95 55.16 57.32 63.31 63.44 62.43 62.22 56.24 61.73 763 3,4-Dimethylidenehexa-1,5-diene 61.80 60.25 61.66 64.37 65.33 56.78 63.56 63.91 62.22 61.77 61.29 68.28 62.13 69.03 67.60 67.21 66.56 66.51 66.70 66.83 67.53 66.24 64.99 63.74 65.09 63.96 63.69 64.38 57.11 55.74 764 1,2-Diethenylcyclobut-1-ene 62.50 59.73 60.89 63.19 64.29 55.97 57.27 56.94 56.41 59.84 60.67 59.28 60.24 61.35 60.78 61.39 64.73 64.71 62.97 62.61 63.47 63.72 63.05 62.96 62.98 61.82 62.18 62.56 56.98 61.15 765 2,3-Dimethylidenebicyclo[2.2.0]hexane 75.40 72.04 72.84 75.18 76.20 74.97 70.80 70.06 71.04 76.42 76.08 70.98 76.61 72.20 72.87 72.59 76.92 76.92 72.02 71.67 71.10 71.90 72.38 73.30 75.86 76.75 76.57 76.68 51.25 59.38 766 2-Methyl-5-(propan-2-yl)cyclohexa-1,3-diene -2.22 -2.00 -1.25 1.01 2.45 7.58 2.24 2.23 5.76 7.52 2.67 4.09 7.02 3.49 6.24 2.45 4.02 3.76 2.04 1.84 0.63 0.23 1.09 1.21 5.62 4.31 1.98 1.79 -5.58 -5.13 767 1-Methyl-4-(propan-2-yl)cyclohexa-1,3-diene -4.92 -4.92 -4.42 -2.24 -0.76 2.34 -2.68 -2.74 0.91 2.54 -1.45 -1.22 2.14 -1.25 1.58 -1.56 0.34 0.09 -1.94 -2.16 -3.02 -3.40 -2.37 -2.26 1.13 -0.01 -1.94 -1.90 -10.56 -10.07 768 Perhydroquinacene -24.45 -20.79 -20.75 -19.22 -17.77 2.75 -14.87 -15.61 -9.13 -3.34 -10.53 -17.78 -4.43 -20.06 -14.83 -20.41 -14.46 -14.68 -20.01 -20.88 -25.55 -24.02 -21.25 -18.97 -11.24 -11.08 -14.46 -15.78 -30.73 -25.61 769 Hexa-1,5-diene 20.10 19.32 20.09 20.84 22.52 14.89 19.96 20.01 19.04 18.31 19.48 22.41 18.68 23.27 22.43 23.31 22.61 22.63 21.99 22.05 22.89 22.58 21.39 20.56 20.72 20.08 20.63 21.02 18.58 17.36 770 Methylenecyclohexane -6.02 -8.26 -7.94 -7.12 -5.62 -3.63 -6.94 -7.10 -4.90 -4.01 -5.73 -6.66 -4.21 -6.93 -5.20 -6.53 -5.49 -5.50 -7.42 -7.32 -8.21 -8.13 -7.42 -7.31 -5.33 -5.54 -6.32 -6.63 -10.67 -9.70 771 5-Methylhex-1-ene -16.42 -16.93 -16.61 -16.26 -14.37 -17.86 -16.50 -16.54 -15.63 -15.62 -16.03 -14.47 -15.57 -13.90 -13.23 -13.58 -14.00 -14.06 -14.89 -14.76 -14.27 -14.43 -15.11 -15.69 -14.43 -15.92 -16.09 -16.31 -14.65 -16.09 772 (2Z)-4,4-dimethylpent-2-ene -17.53 -18.09 -17.75 -16.79 -15.53 -16.29 -16.07 -16.08 -14.69 -14.14 -16.41 -13.33 -14.24 -13.20 -12.14 -13.93 -14.54 -14.63 -14.79 -14.75 -14.46 -15.02 -15.51 -16.02 -13.39 -15.62 -16.71 -16.90 -18.13 -18.46 773 Ethylidenecyclohexane -14.70 -14.10 -13.88 -12.93 -11.36 -8.82 -13.49 -13.68 -10.76 -9.26 -11.68 -12.95 -9.54 -13.25 -10.97 -12.85 -11.20 -11.30 -13.49 -13.44 -14.25 -14.19 -13.24 -13.10 -10.76 -11.21 -12.34 -12.69 -18.00 -17.73 774 Formaldehyde -25.99 -26.81 -26.79 -26.50 -27.33 -28.96 -23.54 -23.55 -26.06 -28.37 -26.81 -23.45 -27.95 -24.09 -26.09 -24.89 -26.89 -26.84 -25.54 -25.77 -25.42 -25.84 -26.58 -27.15 -26.89 -27.15 -26.44 -26.29 -20.70 -25.54 775 Methanol -48.06 -47.81 -48.09 -48.88 -48.88 -49.50 -46.23 -46.19 -46.55 -50.00 -48.56 -47.40 -49.77 -47.52 -47.81 -46.70 -50.22 -50.15 -46.59 -47.02 -46.35 -46.75 -48.17 -48.38 -48.85 -49.16 -48.52 -48.35 -48.35 -48.94 776 Methylchloride -19.89 -19.98 -19.50 -20.05 -20.94 -26.01 -21.07 -21.24 -23.37 -23.97 -21.25 -20.75 -23.39 -19.98 -21.63 -19.56 -19.84 -19.79 -19.28 -19.78 -18.47 -17.99 -19.20 -19.87 -21.49 -22.09 -20.75 -20.52 -15.06 -16.54 777 Methanethiol -5.48 -6.44 -5.41 -6.21 -6.37 -9.02 -6.18 -6.32 -7.16 -8.22 -6.79 -6.25 -7.94 -6.00 -6.66 -5.56 -6.49 -6.46 -6.28 -6.32 -5.88 -5.48 -6.07 -6.31 -7.22 -7.03 -6.34 -6.11 -3.37 -5.19 778 Difluoromethane -107.96 -107.67 -107.85 -108.07 -110.05 -112.74 -107.98 -108.12 -110.84 -111.17 -109.34 -107.80 -110.57 -107.47 -109.61 -108.20 -107.62 -107.56 -106.50 -107.19 -105.77 -106.83 -106.36 -107.34 -108.49 -109.96 -109.14 -108.32 -104.74 -98.08 779 Trifluoromethane -166.47 -166.25 -166.44 -165.92 -169.45 -168.79 -165.45 -165.69 -167.42 -168.54 -166.84 -166.57 -168.12 -166.42 -167.82 -166.51 -166.45 -166.40 -165.30 -165.99 -164.38 -165.54 -165.04 -166.09 -166.67 -168.02 -167.26 -166.60 -162.67 -157.14 780 Dichloromethane -22.81 -23.38 -22.23 -22.90 -25.33 -28.61 -24.13 -24.29 -26.01 -26.84 -23.89 -24.02 -26.36 -23.30 -24.65 -22.41 -22.94 -22.91 -22.72 -23.07 -21.75 -20.77 -22.13 -22.95 -24.74 -24.76 -23.25 -23.38 -17.87 -18.21 781 Chloroform -24.60 -25.77 -24.14 -24.46 -29.02 -29.13 -25.60 -25.78 -26.49 -27.35 -24.74 -25.36 -26.99 -24.57 -25.17 -23.19 -24.17 -24.15 -24.06 -24.10 -23.22 -22.03 -23.50 -24.09 -25.70 -25.65 -24.30 -24.40 -20.97 -19.92 782 Methylamine -5.50 -4.56 -4.71 -5.74 -4.77 -5.51 -4.15 -4.00 -2.86 -6.49 -5.47 -6.17 -6.39 -5.38 -4.54 -3.74 -5.77 -5.72 -3.61 -4.11 -3.02 -3.23 -4.71 -4.69 -5.80 -6.16 -5.71 -5.53 -2.40 -3.44 783 Acetonitrile 18.00 17.52 17.35 18.11 18.42 17.66 22.89 23.05 20.64 17.71 19.64 22.62 18.07 22.06 20.14 21.62 17.94 17.99 19.53 19.77 20.09 20.07 18.75 18.25 18.13 17.24 18.15 18.16 20.51 18.21 784 Nitromethane -17.80 -17.26 -18.68 -17.77 -20.61 -18.36 -21.16 -21.51 -19.62 -18.99 -19.16 -22.43 -19.09 -21.54 -20.05 -20.16 -19.22 -19.18 -20.61 -20.49 -20.26 -20.22 -18.77 -18.41 -19.41 -18.88 -18.95 -18.91 -16.31 -17.19 785 Methylnitrite -15.89 -15.70 -16.32 -16.05 -17.96 -16.21 -17.05 -17.17 -17.93 -16.08 -16.20 -16.56 -16.23 -16.76 -17.37 -17.45 -18.14 -18.11 -17.45 -17.01 -18.08 -17.92 -17.76 -17.31 -16.81 -15.53 -15.59 -15.74 -22.61 -24.97 786 Methylsilane -6.98 -6.79 -6.68 -7.37 -8.07 -12.78 -11.13 -11.40 -13.82 -10.11 -9.38 -9.68 -9.76 -8.44 -10.23 -9.64 -5.90 -5.82 -8.25 -8.13 -9.11 -8.19 -7.71 -7.57 -8.63 -9.02 -8.63 -7.80 -10.93 -5.88 787 Formic acid -92.29 -90.28 -90.58 -90.98 -91.97 -88.79 -86.64 -86.50 -86.00 -91.43 -90.44 -89.23 -91.51 -90.13 -89.85 -89.08 -94.24 -94.18 -91.15 -91.25 -90.70 -91.14 -92.51 -92.86 -92.19 -91.07 -90.61 -91.18 -87.93 -89.55 788 Methyl formate -84.73 -85.65 -86.30 -86.07 -87.91 -85.47 -82.75 -82.39 -84.90 -87.77 -86.65 -84.54 -87.89 -85.52 -87.44 -86.58 -90.79 -90.72 -87.15 -86.97 -87.03 -87.02 -88.02 -88.02 -88.73 -86.96 -86.43 -87.17 -84.43 -83.97 789 Acetamide -56.97 -55.18 -55.93 -56.53 -56.64 -53.86 -54.28 -53.87 -51.24 -57.62 -57.24 -58.05 -57.94 -58.00 -56.06 -55.76 -59.37 -59.32 -58.19 -58.25 -57.06 -57.28 -58.37 -58.38 -59.31 -57.31 -57.13 -57.95 -55.11 -56.56 790 Aziridine 29.98 30.55 30.46 30.26 31.01 31.73 29.96 29.54 29.15 30.26 31.74 27.17 30.38 27.91 27.60 28.75 26.85 26.92 28.73 28.99 29.40 30.00 29.57 30.01 29.76 30.55 31.25 31.06 29.56 32.29 791 Dimethylamine -4.42 -3.42 -3.82 -4.42 -3.76 -4.77 -3.88 -3.65 -3.31 -5.68 -4.80 -5.71 -5.69 -4.76 -4.48 -3.79 -5.41 -5.34 -3.16 -3.43 -2.59 -2.55 -3.75 -3.67 -5.30 -5.22 -4.81 -4.93 -3.08 -4.25 792 Ketene -11.37 -11.80 -11.73 -11.18 -11.74 -18.47 -13.16 -13.23 -14.49 -16.73 -14.47 -12.59 -16.21 -12.28 -13.40 -11.66 -14.64 -14.57 -13.54 -13.75 -12.53 -12.75 -14.19 -14.92 -14.92 -14.38 -13.32 -13.25 -18.49 -18.77 793 Oxirane -12.58 -12.54 -12.98 -12.69 -13.53 -13.84 -13.08 -13.56 -16.62 -14.12 -12.03 -14.44 -13.80 -14.38 -16.69 -15.07 -17.05 -16.97 -14.47 -14.25 -14.36 -13.83 -14.04 -13.77 -13.88 -12.99 -12.00 -12.07 -10.06 -11.26 794 Oxaldehyde -50.68 -51.61 -51.79 -50.99 -52.68 -51.29 -45.93 -45.74 -48.09 -52.57 -51.15 -46.38 -52.43 -48.43 -50.34 -49.24 -52.90 -52.83 -52.25 -51.84 -51.97 -52.54 -52.83 -53.63 -52.62 -51.21 -50.53 -51.14 -45.85 -52.53 795 Ethanol -56.19 -55.67 -56.01 -56.91 -56.65 -57.11 -54.62 -54.56 -54.23 -57.81 -56.32 -55.89 -57.70 -55.90 -55.68 -54.51 -58.13 -58.04 -55.10 -55.30 -54.68 -54.87 -56.34 -56.47 -57.09 -57.19 -56.49 -56.54 -54.89 -55.87 796 Methoxymethane -44.00 -43.66 -44.26 -44.45 -45.37 -47.08 -43.51 -43.29 -46.10 -47.20 -45.57 -44.19 -47.07 -44.07 -46.16 -44.89 -47.52 -47.43 -43.47 -43.61 -43.47 -43.38 -44.56 -44.48 -46.27 -45.77 -45.02 -45.20 -45.78 -45.00 797 Thiirane 19.60 16.96 17.84 17.92 17.86 17.47 17.03 16.46 14.89 17.81 19.43 16.36 18.11 16.61 15.41 16.67 15.43 15.49 16.52 17.00 16.98 17.69 17.67 17.93 18.32 18.10 18.90 19.03 25.06 23.63 798 Dimethylsulfoxide -36.08 -36.40 -35.52 -36.55 -36.49 -36.98 -37.49 -37.36 -36.78 -36.82 -37.39 -37.54 -36.82 -36.82 -36.43 -36.84 -36.49 -36.45 -36.23 -36.20 -36.27 -37.17 -36.56 -36.62 -36.43 -36.96 -37.23 -36.88 -32.77 -37.59 799 (Methylsulfanyl)methane -8.90 -10.22 -9.36 -9.76 -9.83 -12.79 -10.75 -10.84 -11.69 -11.68 -10.70 -10.19 -11.41 -10.01 -10.65 -9.88 -10.47 -10.42 -10.05 -9.93 -9.70 -9.93 -9.75 -9.91 -10.41 -10.72 -10.26 -9.71 -5.22 -7.36 800 Fluoroethene -33.19 -34.11 -33.87 -33.99 -34.53 -41.66 -35.59 -35.65 -37.78 -38.45 -36.01 -34.25 -37.79 -33.11 -34.85 -32.97 -33.42 -33.35 -32.93 -33.44 -32.00 -32.52 -33.43 -34.27 -35.49 -35.88 -34.74 -34.07 -33.29 -32.27 801 Chloroethene 8.20 4.30 5.26 5.18 4.45 -2.14 3.71 3.59 1.68 0.88 3.80 4.76 1.48 5.97 4.40 6.62 5.67 5.73 6.03 5.69 7.04 7.42 5.90 5.10 3.58 3.49 4.92 5.14 5.84 5.27 802 Prop-2-enenitrile 43.19 44.13 44.29 45.78 46.21 42.96 50.00 50.33 47.05 44.22 46.36 50.86 44.65 50.55 47.92 49.55 46.29 46.34 47.76 48.02 48.36 48.20 46.61 45.85 45.57 44.67 45.68 45.65 45.98 43.75 803 Acetone -51.80 -51.36 -51.73 -51.78 -52.48 -54.70 -51.36 -51.36 -51.73 -54.45 -52.95 -51.55 -54.23 -51.70 -52.08 -50.91 -52.93 -52.84 -53.01 -52.90 -52.18 -52.51 -52.93 -53.40 -53.73 -53.14 -52.42 -52.48 -54.44 -55.47 804 Acetic acid -103.41 -102.34 -102.90 -103.38 -104.31 -100.67 -99.45 -99.29 -97.98 -103.88 -102.85 -102.40 -104.07 -103.33 -102.40 -101.59 -107.06 -106.98 -104.54 -104.48 -103.87 -104.13 -105.45 -105.60 -105.26 -103.52 -103.03 -103.74 -101.13 -102.20 805 Acetyl fluoride -105.69 -104.72 -105.11 -105.06 -106.67 -107.80 -104.49 -104.57 -105.32 -107.84 -106.14 -105.24 -107.53 -105.38 -106.05 -104.74 -106.42 -106.35 -106.58 -106.69 -105.62 -106.20 -106.32 -107.03 -107.20 -106.78 -105.98 -105.97 -100.67 -100.93 806 Acetyl chloride -58.10 -57.88 -57.59 -57.73 -59.43 -62.91 -59.18 -59.21 -59.82 -61.71 -59.73 -58.94 -61.37 -58.60 -59.17 -57.65 -59.23 -59.17 -59.03 -59.36 -58.03 -57.83 -58.89 -59.58 -60.14 -59.93 -58.93 -59.11 -58.15 -58.46 807 Propan-2-ol -65.14 -64.72 -65.15 -65.98 -65.63 -64.60 -63.32 -63.23 -61.92 -65.58 -64.75 -64.47 -65.66 -64.55 -63.58 -62.93 -66.94 -66.85 -64.19 -64.24 -63.80 -63.88 -65.41 -65.42 -65.53 -65.67 -65.27 -65.60 -64.95 -65.35 808 Methoxyethane -51.71 -51.71 -52.36 -52.59 -53.32 -54.54 -51.78 -51.55 -53.67 -54.90 -53.33 -52.56 -54.89 -52.38 -53.94 -52.73 -55.41 -55.34 -51.92 -51.91 -51.83 -51.49 -52.76 -52.55 -54.39 -53.78 -53.04 -53.39 -52.20 -51.94 809 Trimethylamine -5.72 -5.55 -6.11 -6.25 -6.15 -5.64 -5.70 -5.38 -5.56 -6.62 -6.59 -7.19 -6.85 -6.21 -6.28 -6.25 -7.81 -7.76 -5.06 -5.06 -4.77 -4.51 -5.60 -5.29 -6.85 -6.76 -6.73 -7.27 -4.44 -6.19 810 Furan -8.32 -8.45 -8.23 -7.59 -8.19 -8.43 -8.85 -8.90 -10.40 -9.36 -7.41 -10.84 -9.34 -9.94 -10.99 -9.48 -11.20 -11.10 -9.44 -9.62 -9.90 -9.03 -10.55 -9.83 -10.70 -8.54 -7.59 -7.74 -8.30 -5.66 811 Thiophene 27.55 24.39 26.46 27.55 26.91 27.48 25.58 25.29 25.27 27.76 28.37 24.95 27.88 25.87 25.86 26.36 27.37 27.45 26.93 27.02 26.48 26.12 26.94 27.42 27.57 27.05 27.34 28.12 30.59 29.64 812 Pyrrole 25.89 25.50 25.89 26.43 26.70 27.77 24.53 24.57 26.05 25.46 26.47 20.88 25.27 22.58 23.79 24.59 23.77 23.84 24.59 24.21 24.87 25.55 24.18 24.95 23.56 25.27 25.78 25.65 25.75 26.46 813 Pyridine 33.57 32.65 33.24 34.72 34.03 33.46 33.01 33.37 32.43 31.59 31.92 31.03 31.46 31.45 30.84 31.12 32.68 32.75 32.69 32.44 32.40 32.33 32.22 32.35 31.02 32.09 32.29 32.28 33.93 31.74 814 Methyl acetate -98.43 -97.48 -98.37 -98.19 -100.04 -96.73 -95.00 -94.63 -96.35 -99.65 -98.62 -97.15 -99.90 -98.21 -99.49 -98.70 -103.19 -103.14 -100.06 -99.77 -99.81 -99.58 -100.60 -100.34 -101.27 -98.96 -98.47 -99.35 -97.33 -96.73 815 2-Methylpropan-2-ol -74.69 -74.34 -74.86 -75.31 -75.08 -71.01 -71.24 -71.10 -68.82 -72.45 -72.94 -72.11 -72.78 -72.55 -70.81 -71.18 -75.83 -75.77 -73.03 -73.00 -72.92 -72.95 -74.56 -74.37 -73.34 -73.80 -74.01 -74.71 -75.13 -74.75 816 Aniline 20.81 20.22 20.94 21.74 22.27 21.70 18.85 19.24 22.20 19.27 18.52 16.27 18.94 17.28 19.58 19.04 19.53 19.56 19.87 19.45 20.12 19.63 19.14 19.27 18.34 19.31 18.98 18.95 21.36 21.22 817 Butan-2-one -57.09 -56.54 -56.93 -57.07 -57.62 -58.71 -56.42 -56.42 -56.27 -58.80 -57.81 -56.52 -58.70 -56.89 -56.86 -56.09 -58.19 -58.12 -58.48 -58.25 -57.65 -57.93 -58.20 -58.61 -58.54 -57.99 -57.50 -57.69 -57.47 -59.41 818 1,4-Dioxane -75.49 -74.92 -75.92 -75.83 -77.99 -67.18 -70.73 -70.14 -71.82 -73.09 -73.77 -74.27 -73.97 -76.30 -77.37 -77.87 -82.16 -82.09 -76.82 -76.53 -79.03 -77.67 -78.32 -76.81 -77.74 -73.63 -73.90 -75.63 -85.65 -82.07 819 Thiolane -8.13 -8.84 -8.09 -8.21 -7.99 -3.38 -7.69 -7.95 -6.96 -4.94 -6.01 -8.46 -5.10 -9.28 -8.42 -9.19 -7.83 -7.76 -8.98 -8.78 -10.17 -10.28 -8.60 -8.09 -6.59 -6.43 -6.91 -6.61 -12.26 -10.26 820 2-Chloro-2-methylpropane -43.72 -44.32 -44.08 -44.24 -45.03 -44.55 -43.29 -43.33 -43.16 -43.30 -43.46 -42.24 -43.25 -42.02 -41.88 -41.99 -42.54 -42.48 -42.38 -42.59 -41.99 -41.90 -42.66 -42.88 -42.44 -44.15 -44.17 -44.19 -45.03 -45.26 821 Pyrrolidine -0.82 -0.15 -0.43 -1.00 0.09 5.77 0.50 0.53 2.61 2.21 1.73 -2.85 1.80 -2.81 -1.12 -1.46 -1.10 -1.04 -1.07 -1.30 -2.02 -1.28 -1.45 -0.60 -0.46 0.73 0.56 -0.06 -7.93 -5.57 822 Ethoxyethane -60.27 -59.70 -60.43 -60.71 -61.25 -61.89 -59.92 -59.68 -61.14 -62.49 -61.03 -60.80 -62.59 -60.57 -61.63 -60.52 -63.15 -63.12 -60.27 -60.13 -60.14 -59.54 -60.91 -60.55 -62.40 -61.70 -61.01 -61.52 -58.52 -58.86 823 1,1-Dimethoxyethane -93.13 -92.77 -94.05 -93.75 -96.22 -88.68 -88.43 -87.71 -90.35 -92.59 -93.05 -90.44 -93.30 -91.88 -93.71 -94.08 -100.23 -100.25 -93.17 -93.05 -94.12 -93.11 -95.13 -94.03 -95.18 -92.81 -93.04 -94.59 -100.62 -96.90 824 2-Methylpropan-2-thiol -26.16 -27.94 -27.17 -27.24 -27.28 -23.46 -24.73 -24.76 -23.22 -23.51 -25.66 -23.91 -23.77 -24.40 -23.19 -24.81 -26.00 -25.96 -25.84 -25.48 -25.97 -26.41 -26.08 -26.05 -24.20 -25.44 -26.47 -26.33 -29.46 -25.92 825 (Ethyldisulfanyl)ethane -17.88 -19.29 -17.63 -18.06 -18.59 -16.90 -19.05 -18.99 -18.12 -17.07 -18.96 -17.86 -17.25 -18.64 -17.94 -19.36 -19.32 -19.37 -18.83 -18.48 -18.95 -20.46 -18.16 -17.83 -16.93 -17.48 -18.50 -17.66 -19.22 -17.77 826 2-Methylpropan-2-amine -28.82 -28.73 -28.94 -29.46 -28.11 -23.31 -25.73 -25.48 -21.78 -25.30 -26.89 -27.27 -25.78 -27.04 -24.21 -25.43 -28.46 -28.43 -26.76 -26.77 -26.45 -26.57 -28.00 -27.79 -26.62 -27.57 -28.29 -29.05 -26.10 -24.20 827 Tetramethylsilane -56.42 -51.95 -52.25 -52.12 -51.56 -53.80 -55.85 -55.86 -52.98 -51.68 -53.59 -53.71 -51.49 -52.79 -50.68 -52.14 -51.04 -51.09 -52.56 -53.05 -52.98 -55.29 -53.26 -53.17 -50.69 -52.37 -53.45 -51.86 -49.00 -48.64 828 2-Methylthiophene 20.09 16.73 18.51 20.08 19.29 20.80 17.81 17.50 18.17 20.92 20.70 17.23 20.98 18.15 18.69 18.55 20.13 20.17 19.31 19.37 18.76 18.14 19.50 20.08 20.52 19.70 19.56 20.59 18.94 18.82 829 1-Methyl-1H-pyrrole 24.63 24.05 24.28 25.50 25.15 26.92 23.28 23.40 23.95 24.67 25.05 19.90 24.41 21.68 22.24 22.54 22.39 22.44 23.48 23.10 23.43 24.28 23.32 24.27 22.56 24.11 24.31 24.13 24.97 25.73 830 Oxane -53.26 -52.51 -53.05 -53.07 -53.51 -46.62 -50.59 -50.43 -50.06 -50.09 -51.03 -52.63 -50.63 -53.77 -53.34 -54.04 -55.59 -55.53 -53.87 -53.72 -55.31 -54.44 -54.33 -53.44 -53.17 -51.34 -51.72 -52.82 -58.37 -56.00 831 Pentan-3-one -61.63 -61.70 -62.14 -62.34 -62.70 -62.63 -61.39 -61.38 -60.74 -63.06 -62.61 -61.38 -63.08 -61.99 -61.56 -61.21 -63.33 -63.31 -63.85 -63.53 -63.07 -63.28 -63.42 -63.75 -63.26 -62.76 -62.52 -62.83 -60.34 -63.30 832 Propan-2-yl acetate -115.11 -114.20 -115.25 -114.89 -116.59 -110.58 -110.95 -110.52 -110.71 -114.08 -114.38 -112.98 -114.64 -114.17 -114.27 -114.52 -119.06 -119.11 -116.77 -116.42 -116.79 -116.18 -117.31 -116.72 -116.83 -114.65 -114.79 -116.02 -113.86 -113.12 833 Thiane -15.20 -16.22 -15.44 -15.43 -15.10 -8.41 -14.18 -14.34 -11.99 -10.60 -13.32 -14.65 -11.01 -15.94 -14.04 -16.09 -15.20 -15.17 -16.57 -16.17 -17.79 -17.99 -15.83 -15.32 -13.11 -12.91 -14.20 -14.21 -17.83 -15.93 834 2-Methoxy-2-methylpropane -67.73 -67.64 -68.41 -68.11 -68.88 -64.25 -64.58 -64.23 -64.54 -65.53 -66.90 -64.52 -66.00 -65.24 -65.38 -66.44 -70.17 -70.19 -66.60 -66.50 -67.00 -66.56 -67.95 -67.38 -66.83 -66.87 -67.52 -68.59 -69.78 -68.21 835 1,3-Difluorobenzene -73.90 -73.51 -73.05 -71.82 -74.86 -78.59 -77.97 -77.93 -78.34 -77.97 -77.12 -78.15 -77.73 -77.25 -77.54 -76.86 -74.16 -74.08 -75.57 -76.24 -75.15 -76.04 -75.19 -75.71 -76.97 -75.84 -75.42 -75.01 -72.46 -71.48 836 1,4-Difluororbenzene -73.30 -72.70 -72.22 -71.19 -74.55 -78.01 -77.29 -77.23 -77.67 -77.32 -76.46 -77.40 -77.06 -76.48 -76.79 -76.10 -73.41 -73.33 -74.78 -75.46 -74.37 -75.27 -74.40 -74.94 -76.26 -75.15 -74.72 -74.29 -71.30 -70.90 837 Fluorobenzene -27.76 -27.67 -26.90 -25.80 -27.21 -32.13 -30.84 -30.79 -31.57 -31.18 -30.19 -30.72 -30.92 -29.84 -30.40 -29.61 -27.15 -27.06 -28.33 -28.79 -28.07 -28.74 -28.36 -28.78 -29.93 -29.51 -29.01 -28.47 -24.32 -24.60 838 2-(propan-2-yloxy)propane -76.29 -75.93 -76.87 -76.66 -77.15 -73.18 -73.83 -73.49 -73.22 -74.51 -75.50 -74.08 -75.03 -74.45 -74.17 -74.98 -78.09 -78.21 -75.60 -75.55 -76.02 -75.13 -76.68 -75.95 -75.90 -75.70 -76.19 -77.24 -76.12 -75.78 839 Bromoethene 18.84 17.00 17.49 16.98 13.64 11.51 16.49 16.45 14.69 13.87 16.18 17.32 14.35 18.24 16.79 18.55 17.38 17.43 17.91 17.69 18.68 18.96 17.60 16.94 15.93 15.93 17.08 17.27 17.33 16.89 840 Bromoethane -14.93 -14.99 -15.10 -16.41 -21.05 -20.00 -16.85 -16.93 -18.19 -18.69 -16.95 -16.63 -18.34 -16.10 -17.08 -15.74 -15.96 -15.89 -15.51 -15.82 -14.89 -14.55 -15.46 -15.94 -16.98 -17.63 -16.74 -16.53 -13.03 -13.98 841 2-Bromopropane -23.60 -23.04 -23.31 -24.57 -28.04 -26.06 -24.19 -24.23 -24.65 -24.97 -24.34 -23.67 -24.79 -23.32 -23.66 -23.15 -23.38 -23.30 -22.98 -23.21 -22.55 -22.46 -23.12 -23.40 -23.74 -24.88 -24.54 -24.37 -21.88 -21.31 842 Bromobenzene 25.17 23.12 23.98 24.98 21.03 22.40 22.43 22.51 22.00 22.55 22.52 22.26 22.62 22.77 22.45 22.45 24.66 24.71 23.54 23.23 23.39 23.06 23.45 23.24 22.81 22.68 22.71 23.18 25.65 26.19 843 Bromohexane -35.40 -35.42 -35.65 -36.93 -40.25 -36.02 -36.57 -36.63 -35.66 -35.65 -35.78 -36.10 -35.72 -36.03 -35.24 -35.38 -35.17 -35.25 -36.17 -36.22 -35.63 -35.17 -35.39 -35.99 -35.35 -36.40 -36.37 -36.95 -33.11 -34.22 844 1,2-Dibromopropane -17.10 -17.80 -18.11 -20.12 -28.16 -18.13 -17.67 -17.55 -18.01 -18.29 -18.99 -17.26 -18.38 -17.83 -18.15 -18.67 -18.81 -18.77 -17.97 -18.32 -17.99 -17.57 -18.22 -18.49 -18.05 -18.98 -19.23 -19.47 -17.48 -15.23 845 (1R,2R)-1,2-dibromocyclopentane -13.10 -14.45 -15.10 -16.35 -23.53 -5.25 -11.51 -11.55 -9.96 -8.08 -12.05 -12.12 -8.63 -13.89 -12.56 -15.56 -13.54 -13.53 -14.17 -14.85 -16.51 -15.85 -15.21 -14.36 -11.06 -11.74 -13.60 -13.99 -18.43 -14.34 846 Bromodifluoromethane -101.58 -100.88 -101.14 -102.13 -108.25 -106.16 -103.17 -103.29 -104.43 -105.12 -103.19 -103.49 -104.76 -102.86 -103.79 -102.33 -102.42 -102.39 -101.98 -102.45 -101.27 -101.17 -101.70 -102.46 -103.46 -103.56 -102.59 -102.42 -95.78 -97.43 847 Phenol -23.03 -22.69 -21.98 -21.20 -21.72 -22.13 -23.15 -22.93 -21.37 -23.99 -23.93 -24.90 -24.19 -24.75 -23.51 -23.43 -24.70 -24.62 -23.12 -23.47 -23.19 -23.69 -24.39 -24.39 -24.56 -23.33 -23.27 -23.31 -21.17 -22.16 848 (Ethenyloxy)ethene -3.30 -3.06 -2.79 -2.34 -2.47 -9.18 -3.74 -3.36 -5.62 -7.54 -5.19 -3.28 -7.36 -2.13 -3.93 -2.13 -5.71 -5.65 -2.61 -2.64 -1.92 -1.63 -4.03 -4.25 -6.29 -4.09 -2.98 -3.26 -5.18 -5.66 849 Oxolane -44.01 -42.87 -43.41 -43.54 -44.06 -39.55 -42.06 -42.03 -43.04 -42.35 -41.85 -44.38 -42.59 -45.08 -45.70 -45.29 -45.90 -45.80 -44.33 -44.48 -45.76 -44.93 -45.01 -44.20 -44.49 -42.65 -42.36 -42.98 -51.29 -48.88 850 Cyclopentanone -46.07 -45.81 -46.09 -46.07 -45.97 -42.47 -45.39 -45.61 -43.99 -44.84 -44.92 -47.19 -44.99 -48.13 -46.90 -46.94 -46.79 -46.71 -49.14 -49.12 -49.81 -49.71 -48.69 -48.56 -47.07 -45.32 -45.30 -45.78 -53.92 -53.64 851 Quinone -29.38 -28.25 -28.01 -26.12 -27.62 -25.74 -24.24 -23.79 -24.61 -27.79 -28.11 -24.46 -28.01 -26.39 -27.06 -27.28 -27.41 -27.34 -29.18 -28.51 -29.65 -30.44 -29.14 -29.58 -28.98 -26.34 -26.45 -27.12 -27.65 -28.37 852 Pyrimidine 46.80 44.23 44.31 45.82 44.74 50.24 47.29 47.92 47.13 44.93 44.44 42.75 44.38 42.52 42.06 41.72 42.44 42.48 43.40 43.23 42.69 43.01 42.88 43.48 42.09 44.63 44.45 43.68 45.12 40.20 853 Methanesulfonylmethane -89.20 -88.54 -88.69 -89.05 -89.67 -80.02 -85.24 -85.01 -83.66 -84.68 -86.93 -89.36 -85.14 -89.07 -87.99 -89.67 -87.82 -87.80 -89.27 -89.22 -89.40 -90.87 -88.82 -88.61 -87.57 -87.93 -88.99 -89.10 -94.16 -91.75 854 Chlorobenzene 12.34 10.55 12.02 13.42 11.46 8.50 9.46 9.47 8.81 9.30 10.06 9.46 9.48 10.28 9.84 10.44 12.75 12.82 11.47 11.09 11.62 11.49 11.62 11.21 10.21 10.24 10.66 11.10 13.67 13.07 855 Butanedinitrile 50.10 49.58 49.36 51.28 51.51 57.69 62.65 63.21 60.30 54.94 55.89 61.57 54.93 59.06 56.75 57.46 50.81 50.84 52.62 53.61 52.96 52.88 51.76 50.93 52.64 51.94 52.40 51.52 50.87 48.73 856 Pyrazine 46.88 48.43 48.73 50.24 48.39 53.67 50.90 51.55 50.86 48.90 48.40 46.77 48.38 46.80 46.44 46.09 46.89 46.93 48.15 47.85 47.43 47.74 47.46 48.06 46.48 48.74 48.55 47.91 47.55 44.34 857 2,5-Dihydrothiophene 20.80 18.38 19.71 19.87 20.19 22.11 20.07 19.86 20.02 21.42 21.33 19.72 21.42 19.19 19.33 19.30 20.32 20.39 19.03 19.30 18.13 17.82 19.20 19.59 20.38 21.23 21.19 21.80 11.25 13.28 858 But-3-yn-2-one 15.60 18.25 18.15 19.60 19.01 14.04 21.28 21.46 19.43 16.33 18.85 22.94 16.81 22.85 21.12 23.05 18.37 18.45 19.33 19.81 20.31 20.22 18.57 17.85 17.79 17.49 18.68 18.73 15.99 16.46 859 (2E)-but-2-enal -24.13 -24.85 -24.81 -24.17 -24.28 -30.28 -25.28 -25.17 -26.59 -28.78 -26.96 -24.41 -28.45 -24.27 -25.49 -24.09 -25.16 -25.09 -25.19 -25.01 -24.23 -24.74 -25.30 -26.14 -26.81 -26.41 -25.53 -25.58 -23.05 -25.66 860 Hydrogen cyanide 31.50 30.51 30.63 31.42 31.68 32.86 38.99 39.21 36.34 33.05 34.55 39.09 33.38 38.17 35.88 37.02 32.44 32.45 34.77 34.91 34.78 34.79 32.93 32.48 33.32 31.86 32.55 32.51 33.24 29.85 861 1,2,3,5-Tetrafluorobenzene -156.60 -155.28 -155.31 -154.06 -160.39 -161.80 -162.37 -162.36 -162.17 -161.58 -161.05 -162.80 -161.33 -161.97 -161.77 -161.34 -157.79 -157.74 -159.78 -160.76 -159.19 -160.44 -158.56 -159.22 -160.72 -158.42 -158.17 -157.94 -158.95 -157.37 862 1,1,1,2,3,3,3-Heptafluoropropane -370.94 -371.16 -372.53 -371.38 -380.67 -365.85 -366.60 -366.74 -366.41 -369.64 -369.22 -369.86 -370.03 -371.28 -371.09 -370.76 -372.76 -372.71 -371.71 -371.84 -371.62 -371.93 -371.22 -371.10 -371.10 -370.87 -370.70 -371.75 -367.58 -362.95 863 1,1,1,2,3,3-Hexafluoropropane -318.59 -315.37 -316.41 -315.71 -323.59 -313.11 -312.30 -312.33 -313.09 -315.55 -314.87 -314.33 -315.72 -315.53 -316.18 -315.65 -316.80 -316.75 -315.97 -316.16 -315.71 -316.27 -315.21 -315.46 -316.06 -315.98 -315.67 -316.46 -312.56 -305.60 864 1,1,1,2-Tetrachloroethane -35.71 -39.09 -37.37 -36.99 -43.99 -36.06 -35.01 -35.09 -35.03 -35.37 -35.24 -34.28 -35.39 -34.57 -34.52 -34.39 -35.72 -35.68 -35.28 -34.94 -35.15 -33.92 -35.19 -35.18 -35.23 -35.87 -35.72 -35.61 -34.76 -36.86 865 1,1,1,2-Tetrafluoroethane -214.10 -216.47 -217.07 -217.06 -221.62 -217.88 -215.23 -215.36 -216.73 -218.62 -217.00 -216.65 -218.41 -217.02 -218.13 -216.87 -217.44 -217.36 -216.63 -217.09 -215.87 -216.68 -216.03 -216.70 -217.67 -218.17 -217.42 -217.36 -213.97 -208.79 866 1,2,3,6-Tetrahydrobenzaldehyde -26.67 -27.25 -26.93 -25.68 -25.43 -19.91 -22.94 -22.94 -21.01 -22.30 -24.28 -23.60 -22.69 -25.20 -23.76 -25.28 -25.78 -25.79 -27.70 -27.42 -28.70 -28.93 -27.72 -27.85 -25.04 -23.56 -24.46 -25.18 -30.07 -31.12 867 1,1,1,3,3,3-Hexafluoropropane -326.96 -334.96 -336.12 -335.63 -343.11 -330.65 -331.29 -331.46 -330.86 -334.06 -333.33 -334.63 -334.36 -335.57 -335.16 -334.60 -336.37 -336.33 -335.73 -336.07 -335.26 -335.67 -335.19 -335.30 -335.36 -335.27 -334.94 -335.80 -332.46 -328.20 868 1,2,3-Propanetriol -138.69 -138.40 -139.32 -141.14 -142.52 -126.20 -130.09 -129.31 -125.03 -134.12 -136.21 -134.45 -135.35 -137.57 -134.21 -135.78 -147.25 -147.19 -138.30 -138.17 -139.03 -139.00 -142.04 -141.46 -139.07 -136.35 -137.27 -139.47 -145.46 -146.07 869 1,1,1,3,3-Pentafluoropropane -280.59 -278.34 -279.23 -279.07 -285.19 -277.14 -276.23 -276.29 -276.76 -279.09 -278.12 -278.27 -279.18 -278.94 -279.36 -278.60 -279.51 -279.46 -279.07 -279.45 -278.47 -279.09 -278.33 -278.75 -279.40 -279.51 -279.06 -279.63 -276.34 -269.53 870 1,2,3-Trichlorobenzene 0.91 -1.32 0.87 3.25 -3.35 2.31 0.27 0.20 0.70 2.15 1.14 0.02 2.08 0.53 1.00 0.24 2.69 2.67 1.43 1.27 1.27 1.55 2.25 2.17 1.68 1.55 1.11 1.68 1.83 -0.82 871 1,1,1-Trichloroethane -34.25 -36.36 -35.17 -34.99 -40.05 -36.38 -34.43 -34.54 -34.54 -34.99 -33.99 -33.73 -34.85 -33.38 -33.39 -32.60 -33.71 -33.66 -33.47 -33.46 -33.08 -32.28 -33.46 -33.56 -34.12 -34.90 -34.35 -34.15 -36.85 -36.31 872 1,2,3-Trichloropropane -43.70 -46.22 -44.71 -45.40 -49.51 -45.03 -43.44 -43.42 -44.36 -45.00 -44.91 -42.99 -45.04 -43.74 -44.43 -44.37 -44.80 -44.76 -44.82 -45.07 -44.30 -43.04 -44.07 -44.68 -44.77 -45.05 -44.89 -45.43 -41.45 -44.46 873 1,1,1-Trichlorofluoroethane -72.18 -76.46 -75.46 -75.06 -81.72 -75.68 -73.83 -73.88 -74.36 -74.81 -74.06 -73.15 -74.74 -73.30 -73.68 -73.09 -74.24 -74.20 -73.59 -73.36 -73.43 -72.74 -73.47 -73.52 -74.15 -74.75 -74.32 -74.28 -77.66 -72.76 874 1,1,1-Trifluoroethane -176.98 -179.12 -179.69 -179.92 -183.10 -181.10 -178.65 -178.83 -179.54 -181.39 -179.59 -180.04 -181.14 -179.84 -180.45 -179.05 -179.90 -179.83 -179.26 -179.73 -178.38 -178.93 -178.97 -179.47 -180.43 -181.06 -180.23 -180.02 -176.60 -174.75 875 1,2,4,5-Tetrafluorobenzene -154.90 -154.69 -154.70 -153.66 -160.39 -161.48 -162.02 -162.00 -161.80 -161.14 -160.61 -162.36 -160.88 -161.46 -161.26 -160.83 -157.23 -157.18 -159.16 -160.17 -158.58 -159.85 -157.95 -158.63 -160.19 -157.95 -157.70 -157.44 -157.79 -156.83 876 1,1,2,2,3-Pentafluoropropane -262.87 -260.12 -261.13 -260.58 -267.49 -260.50 -258.19 -258.09 -259.75 -261.66 -260.80 -258.97 -261.69 -259.96 -261.30 -260.64 -261.42 -261.36 -260.61 -260.77 -260.40 -260.90 -259.88 -260.11 -261.42 -261.46 -261.07 -261.72 -257.15 -249.32 877 1,2,4-Trichlorobenzene -2.35 -2.69 -0.57 1.78 -4.69 -0.13 -1.63 -1.71 -1.24 -0.26 -0.74 -2.17 -0.28 -1.48 -1.04 -1.42 1.01 0.99 -0.53 -0.95 -0.54 -0.10 0.51 0.18 -0.59 -0.38 -0.53 -0.28 -1.31 -2.05 878 1,1,2,2-Tetrabromoethane 2.60 8.62 8.16 5.98 -10.14 15.66 12.94 13.21 13.87 13.82 10.04 13.29 13.36 11.63 12.21 9.40 8.56 8.55 9.69 10.39 8.75 8.78 8.95 9.85 11.83 10.86 8.88 9.34 8.55 7.29 879 1,2,4-Trifluorobenzene -115.10 -114.34 -114.14 -113.00 -117.90 -120.28 -120.23 -120.19 -120.31 -119.80 -119.11 -120.48 -119.55 -119.57 -119.63 -119.08 -115.96 -115.89 -117.58 -118.42 -117.10 -118.17 -116.81 -117.40 -118.83 -117.14 -116.80 -116.46 -115.13 -114.33 880 1,1,2,2-Tetrachloroethane -35.70 -39.61 -37.56 -37.73 -44.29 -37.15 -35.82 -35.87 -36.31 -36.70 -36.22 -35.29 -36.72 -35.73 -36.05 -35.67 -36.77 -36.73 -36.43 -36.19 -36.14 -34.74 -36.04 -36.25 -36.54 -36.83 -36.49 -36.56 -34.35 -36.07 881 1,2-Benzenediol -65.01 -64.72 -64.38 -64.00 -65.80 -59.21 -63.25 -62.81 -58.78 -64.31 -65.46 -67.08 -65.03 -67.73 -64.57 -65.42 -70.33 -70.29 -65.94 -66.27 -66.25 -66.69 -68.08 -67.64 -67.16 -64.44 -64.95 -65.61 -62.38 -64.34 882 1,1,2,2-Tetrafluoroethane -213.29 -210.10 -210.63 -210.63 -215.44 -212.83 -209.44 -209.48 -211.56 -212.96 -211.32 -210.21 -212.69 -210.54 -212.22 -210.96 -211.02 -210.94 -210.24 -210.66 -209.49 -210.45 -209.44 -210.27 -211.62 -212.16 -211.40 -211.28 -207.24 -199.44 883 2[2-(2-hydroxyethoxy)ethoxy]ethanol -173.30 -166.66 -168.35 -168.88 -172.30 -150.32 -155.62 -154.28 -152.40 -161.45 -164.84 -161.29 -163.48 -165.55 -163.92 -166.60 -179.72 -180.02 -168.12 -167.72 -170.15 -168.64 -171.90 -170.07 -168.94 -163.70 -165.33 -169.01 -183.09 -181.04 884 2,5,8,11-Tetraoxadodecane -161.57 -158.47 -160.55 -160.11 -164.98 -146.64 -149.51 -147.85 -151.79 -157.32 -158.31 -155.47 -159.30 -159.03 -161.65 -162.48 -173.53 -173.74 -161.73 -160.58 -163.94 -161.52 -163.92 -161.63 -164.84 -157.55 -158.02 -162.24 -169.40 -164.44 885 1,1,2-Trichlorethane -35.07 -36.98 -35.40 -36.02 -40.25 -38.23 -35.51 -35.59 -36.59 -37.38 -35.80 -35.29 -37.22 -35.27 -36.05 -34.84 -35.52 -35.47 -35.52 -35.62 -34.79 -33.54 -34.77 -35.39 -36.43 -36.51 -35.63 -35.93 -32.89 -33.76 886 1,2-Dibromobenzene 30.40 29.46 30.00 31.02 23.00 33.28 30.73 30.85 31.04 32.29 30.33 30.38 32.11 30.33 30.57 29.11 31.41 31.41 30.39 30.29 29.77 29.23 30.34 30.62 31.15 30.68 29.70 30.39 29.98 31.03 887 1,1,2-Trichloroethene -2.25 -5.63 -3.58 -3.30 -7.69 -9.06 -5.58 -5.81 -6.40 -6.71 -4.18 -5.10 -6.26 -3.76 -4.29 -2.37 -3.44 -3.41 -3.45 -3.45 -2.16 -1.18 -2.28 -3.09 -4.94 -4.43 -3.13 -3.23 -5.11 -3.61 888 1,2-Dibromoethane -9.15 -9.56 -9.62 -11.70 -20.25 -12.47 -10.44 -10.38 -11.66 -12.36 -11.40 -10.56 -12.25 -10.77 -11.74 -11.00 -11.26 -11.22 -10.57 -10.91 -10.25 -9.49 -10.41 -10.99 -11.59 -11.80 -11.21 -11.51 -8.98 -8.05 889 1,1,2-Trifluoroethane -159.99 -157.93 -158.32 -158.56 -161.87 -162.31 -158.25 -158.28 -160.60 -161.62 -159.81 -158.39 -161.23 -158.46 -160.30 -158.89 -158.64 -158.56 -158.00 -158.40 -157.28 -158.13 -157.37 -158.16 -159.72 -160.40 -159.56 -159.26 -156.03 -149.03 890 1,2-Dichloro-1,1,2-trifluoroethane -169.69 -170.82 -170.69 -170.42 -177.96 -171.86 -170.28 -170.42 -170.61 -171.91 -170.26 -170.87 -171.89 -170.91 -171.11 -169.86 -171.22 -171.17 -171.01 -170.98 -170.57 -169.43 -170.45 -170.59 -171.58 -171.02 -170.14 -170.70 -175.33 -172.16 891 1,2-Dichlorobenzene 7.21 4.38 6.17 8.04 3.72 5.04 4.54 4.51 4.43 5.35 5.25 4.39 5.41 5.06 5.07 5.01 7.37 7.40 6.08 5.82 6.11 6.18 6.61 6.34 5.58 5.57 5.58 6.05 7.58 5.86 892 1,1,3,3-Tetraethylurea -75.62 -72.52 -74.52 failed -74.88 -52.41 -64.82 -63.41 -59.31 -61.82 -71.74 -68.57 -63.96 -70.64 -67.20 -75.02 -78.38 -79.11 -74.09 -74.91 -75.80 -74.73 -75.36 -73.90 -70.26 -67.83 -72.63 -75.56 -73.36 -74.89 893 1,2-Dichlorethane -30.61 -32.69 -31.62 -32.53 -34.60 -36.86 -32.99 -33.07 -34.90 -35.61 -33.19 -32.83 -35.27 -32.55 -33.94 -32.10 -32.25 -32.18 -32.26 -32.69 -31.32 -30.37 -31.48 -32.34 -33.88 -34.05 -32.77 -33.06 -29.62 -29.92 894 1,1,3,3-Tetramethylurea -49.14 -48.57 -50.27 -49.45 -51.70 -37.22 -44.66 -43.41 -42.01 -45.38 -49.81 -49.83 -46.83 -50.61 -49.29 -52.72 -56.76 -56.95 -51.70 -51.72 -52.03 -51.35 -52.17 -50.93 -51.62 -47.93 -50.02 -52.29 -44.82 -49.28 895 1,2-Dichloropropane -38.91 -41.32 -40.35 -41.11 -43.33 -43.11 -40.70 -40.73 -41.72 -42.16 -41.12 -40.14 -42.02 -40.15 -40.89 -40.10 -40.29 -40.23 -40.33 -40.70 -39.62 -38.83 -39.81 -40.43 -41.05 -41.71 -41.11 -41.39 -39.49 -40.42 896 1,2-Difluorobenzene -70.31 -69.77 -69.25 -68.20 -71.56 -74.97 -74.28 -74.25 -74.74 -74.19 -73.36 -74.28 -73.94 -73.41 -73.75 -73.08 -70.23 -70.15 -71.61 -72.21 -71.27 -72.13 -71.23 -71.72 -73.03 -72.03 -71.62 -71.16 -68.30 -68.52 897 1,2-Difluoroethane -107.00 -105.85 -106.18 -106.54 -108.56 -111.83 -106.82 -106.81 -109.67 -110.27 -108.26 -106.23 -109.74 -106.13 -108.34 -106.79 -106.09 -106.00 -105.63 -106.12 -104.88 -105.73 -105.07 -105.96 -107.75 -108.67 -107.74 -107.26 -104.93 -97.61 898 1,1-Dibromoethane -9.75 -8.18 -8.32 -10.02 -17.55 -9.87 -8.52 -8.49 -8.94 -9.49 -9.10 -8.39 -9.40 -8.35 -8.70 -8.38 -8.92 -8.88 -8.43 -8.49 -8.19 -7.92 -8.49 -8.62 -8.93 -9.51 -9.30 -9.16 -7.46 -7.72 899 1,1-Dichloro-1-fluoroethane -81.19 -80.27 -79.78 -79.97 -84.46 -83.31 -80.83 -80.96 -81.15 -81.89 -80.13 -80.49 -81.67 -79.85 -80.03 -78.69 -79.52 -79.47 -79.69 -79.89 -79.02 -78.20 -79.41 -79.65 -80.74 -80.93 -80.02 -80.03 -82.50 -82.58 900 1,2-Dimethoxybenzene -53.37 -49.60 -49.83 -47.54 -51.49 -44.34 -47.44 -46.54 -48.11 -49.03 -51.34 -49.67 -49.97 -50.78 -51.69 -53.49 -56.24 -56.38 -50.61 -50.79 -52.24 -51.74 -52.63 -51.40 -52.36 -49.03 -50.16 -51.32 -52.01 -52.63 901 1,2-Dimethoxyethane -82.70 -81.93 -83.01 -83.00 -85.21 -80.32 -78.90 -78.20 -81.39 -83.96 -83.16 -81.34 -84.54 -82.45 -84.71 -84.10 -89.61 -89.60 -82.96 -82.63 -83.64 -82.78 -84.36 -83.55 -85.86 -83.07 -82.70 -84.24 -87.04 -84.78 902 1,1-Dichloroethane -30.71 -32.98 -32.01 -32.62 -35.15 -36.53 -33.27 -33.39 -34.32 -34.98 -32.97 -32.90 -34.66 -32.31 -33.06 -31.52 -32.02 -31.96 -31.99 -32.24 -31.15 -30.40 -31.54 -32.08 -33.36 -33.83 -32.79 -32.77 -30.98 -31.56 903 1,1-Dichloroethene 0.66 -1.02 0.47 0.62 -2.07 -5.81 -1.15 -1.33 -2.38 -3.07 -0.32 -0.37 -2.55 0.95 0.05 2.14 0.90 0.94 1.10 0.91 2.21 2.80 1.50 0.75 -0.87 -0.66 0.72 0.78 -1.33 0.16 904 2,2-Dimethyloxirane -31.26 -32.53 -33.24 -32.68 -33.46 -31.36 -32.81 -33.23 -34.48 -32.19 -31.17 -34.19 -32.19 -34.06 -34.98 -34.19 -36.28 -36.20 -34.63 -34.23 -34.68 -33.88 -34.12 -33.43 -33.07 -32.30 -31.80 -32.22 -29.15 -29.16 905 2-Ethyloxirane -27.58 -27.31 -27.88 -27.56 -28.11 -27.07 -28.15 -28.60 -30.25 -27.77 -26.35 -29.52 -27.68 -29.41 -30.64 -29.54 -31.40 -31.33 -29.77 -29.35 -29.71 -28.91 -29.01 -28.50 -28.31 -27.48 -26.80 -27.19 -24.05 -25.03 906 1,2-Ethanediamine -4.13 -2.62 -2.75 -4.64 -2.66 3.36 -0.02 0.51 5.55 -1.59 -2.39 -4.70 -2.22 -4.39 -0.56 -1.16 -5.40 -5.38 -2.35 -2.74 -1.65 -1.79 -3.66 -3.41 -3.74 -2.89 -3.26 -4.15 -4.47 -2.97 907 1,1-Difluoroethane -118.80 -119.74 -120.12 -120.51 -122.47 -124.73 -120.85 -120.94 -122.60 -123.48 -121.50 -120.90 -123.06 -120.36 -121.69 -120.16 -120.11 -120.02 -119.66 -120.08 -118.82 -119.43 -119.34 -119.99 -121.51 -122.40 -121.48 -121.03 -117.06 -113.26 908 1,2-Ethanedithiol -2.32 -5.35 -3.16 -4.42 -5.13 -1.25 -2.30 -2.32 -1.23 -2.57 -3.95 -2.56 -2.87 -3.59 -2.77 -3.80 -5.23 -5.20 -5.63 -5.06 -5.54 -5.20 -4.66 -4.77 -3.99 -2.90 -3.56 -3.53 -4.23 -4.40 909 1,2,3,4,5-Pentafluoro-6-methylbenzene -201.41 -200.31 -200.80 -199.10 -208.45 -205.86 -208.27 -208.24 -207.19 -205.98 -206.56 -208.46 -205.86 -207.79 -206.88 -207.31 -203.10 -203.13 -205.40 -206.41 -205.13 -206.42 -203.83 -204.21 -205.54 -203.09 -203.40 -203.35 -205.98 -205.63 910 1,2,3,4,5-Pentafluorobenzene -192.85 -191.59 -191.87 -190.65 -198.72 -198.96 -200.05 -200.06 -199.65 -198.75 -198.39 -200.38 -198.47 -199.62 -199.22 -198.93 -194.74 -194.70 -197.07 -198.16 -196.47 -197.87 -195.43 -196.13 -197.75 -195.03 -194.87 -194.69 -197.93 -196.91 911 1,2,3,4-Tetrafluorobenzene -151.40 -151.79 -151.78 -150.69 -157.41 -158.44 -158.94 -158.94 -158.84 -158.04 -157.53 -159.16 -157.77 -158.35 -158.22 -157.80 -154.09 -154.03 -156.04 -156.97 -155.54 -156.75 -154.83 -155.46 -156.99 -154.85 -154.61 -154.34 -155.18 -154.69 912 1,3,5-Trichlorobenzene -2.42 -4.04 -1.90 0.51 -5.78 -2.27 -3.31 -3.39 -2.93 -2.32 -2.34 -4.05 -2.30 -3.18 -2.77 -2.81 -0.41 -0.41 -2.14 -2.85 -2.02 -1.44 -0.98 -1.50 -2.49 -2.06 -1.96 -1.97 -4.60 -3.29 913 1,3,5-Trifluorobenzene -120.30 -118.53 -118.36 -117.03 -121.63 -124.24 -124.32 -124.29 -124.30 -124.02 -123.30 -124.84 -123.79 -123.96 -123.94 -123.37 -120.41 -120.35 -122.13 -123.01 -121.56 -122.66 -121.35 -121.96 -123.28 -121.42 -121.07 -120.80 -120.16 -117.67 914 1,3,5-Trioxane -111.35 -111.22 -112.53 -112.28 -116.20 -98.77 -103.45 -102.60 -105.81 -107.94 -108.66 -109.37 -109.22 -112.39 -114.53 -115.06 -122.37 -122.30 -113.13 -112.67 -116.01 -114.24 -115.76 -113.70 -114.63 -108.85 -109.15 -111.64 -124.92 -118.53 915 1,3-Dibromobenzene 30.00 27.97 28.57 29.64 21.35 30.53 28.65 28.76 28.92 29.62 28.41 27.93 29.48 28.17 28.36 27.45 29.63 29.63 28.41 27.99 27.96 27.83 28.60 28.54 28.68 28.58 28.06 28.33 28.27 30.43 916 1,3-Dichloro-2-propanol -76.10 -73.53 -72.79 -73.84 -76.66 -69.77 -69.39 -69.22 -68.15 -72.37 -71.99 -71.14 -72.72 -72.37 -71.53 -71.25 -75.69 -75.67 -73.13 -73.37 -72.80 -71.69 -73.50 -73.86 -73.58 -72.50 -72.19 -73.50 -74.79 -75.64 917 1,3-Dichlorobenzene 6.12 2.92 4.73 6.63 2.49 2.74 2.71 2.67 2.55 3.11 3.49 2.34 3.21 3.18 3.14 3.43 5.79 5.82 4.28 3.74 4.43 4.64 4.96 4.48 3.48 3.74 4.01 4.21 4.14 4.41 918 1,3-Dichloropropane -38.02 -37.45 -36.44 -37.41 -39.18 -40.51 -37.54 -37.63 -38.86 -39.62 -37.64 -37.47 -39.37 -37.31 -38.22 -36.73 -36.83 -36.80 -37.32 -37.73 -36.38 -35.40 -36.28 -37.20 -38.35 -38.49 -37.41 -37.89 -35.05 -36.12 919 1,3-Dioxane -81.81 -80.37 -81.35 -81.24 -83.49 -71.70 -75.78 -75.25 -76.76 -77.90 -78.65 -79.63 -78.80 -81.68 -82.61 -83.16 -87.55 -87.48 -82.15 -81.86 -84.30 -82.95 -83.64 -82.14 -82.72 -78.82 -79.12 -80.89 -91.42 -86.63 920 1,3-Dioxolane -71.22 -70.29 -71.20 -71.12 -73.54 -63.79 -66.36 -65.98 -68.94 -69.43 -68.91 -70.55 -70.03 -72.30 -74.34 -73.91 -77.24 -77.15 -71.95 -72.02 -74.18 -72.95 -73.67 -72.33 -73.23 -69.39 -69.11 -70.45 -83.03 -78.46 921 1,3-Dithiolane 2.39 4.56 6.31 6.38 5.29 14.05 8.31 8.18 9.22 11.31 8.85 7.50 10.91 5.75 6.67 4.86 5.65 5.68 5.24 5.91 3.52 2.69 5.69 6.54 8.62 9.31 8.10 8.79 4.56 4.87 922 1,3-Oxazole -3.71 -3.86 -3.96 -3.11 -4.34 1.95 -1.04 -0.84 -2.05 -2.29 -1.16 -5.50 -2.68 -5.21 -6.00 -5.12 -7.78 -7.72 -4.99 -5.08 -5.86 -4.54 -6.15 -4.94 -5.78 -2.54 -1.98 -2.88 -1.65 0.38 923 1,3-Propanediamine -9.26 -7.40 -7.52 -9.28 -7.13 -0.02 -4.26 -3.72 1.77 -5.40 -6.51 -9.04 -6.15 -8.91 -4.72 -5.57 -9.76 -9.78 -7.16 -7.31 -6.48 -6.49 -8.28 -7.94 -8.03 -7.16 -7.68 -8.81 -5.65 -4.84 924 1,4-Butanediol -101.98 -101.00 -101.50 -102.86 -102.48 -94.94 -96.10 -95.74 -92.68 -99.60 -99.77 -99.34 -100.22 -100.93 -98.56 -98.68 -105.93 -105.91 -100.97 -100.85 -100.90 -101.01 -102.76 -102.69 -101.75 -100.53 -100.59 -101.93 -103.85 -103.85 925 1,4-Butanedithiol -12.09 -13.81 -11.83 -12.92 -13.06 -7.91 -10.21 -10.24 -8.40 -9.83 -11.37 -10.75 -10.27 -11.95 -10.49 -11.68 -12.94 -13.02 -14.27 -13.62 -14.26 -13.72 -12.84 -13.00 -11.90 -10.80 -11.49 -12.03 -14.12 -13.00 926 1,4-Dichlorobenzene 5.39 3.05 4.89 6.62 2.48 2.76 2.74 2.71 2.55 3.09 3.49 2.35 3.20 3.17 3.11 3.41 5.77 5.79 4.21 3.70 4.39 4.57 4.94 4.44 3.43 3.75 4.02 4.23 4.16 4.34 927 1,4-Dichlorobutane -43.29 -43.48 -42.51 -43.47 -45.03 -45.54 -43.48 -43.55 -44.26 -44.86 -43.35 -43.32 -44.72 -43.27 -43.78 -42.65 -42.59 -42.62 -43.46 -43.82 -42.52 -41.51 -42.22 -43.18 -43.92 -44.16 -43.30 -44.00 -40.92 -42.18 928 (2E)-1,4-dichlorobut-2-ene -15.82 -14.12 -12.80 -12.95 -14.80 -19.31 -14.60 -14.55 -16.23 -17.11 -14.85 -13.45 -16.77 -12.91 -14.24 -12.53 -12.29 -12.30 -12.96 -13.36 -11.81 -11.00 -12.26 -13.37 -14.90 -14.71 -13.53 -13.77 -14.99 -17.00 929 1,5-Pentanediamine -19.12 -17.68 -17.82 -19.53 -16.83 -8.10 -14.21 -13.65 -6.99 -13.95 -15.99 -18.86 -14.92 -18.96 -13.85 -15.43 -19.46 -19.57 -17.59 -17.60 -16.96 -16.87 -18.37 -18.06 -17.30 -16.56 -17.50 -19.04 -15.71 -15.19 930 1-Amino-2-propanol -57.12 -56.52 -56.98 -58.30 -57.60 -48.78 -51.68 -51.18 -46.83 -53.94 -55.06 -55.49 -54.71 -56.38 -53.06 -53.91 -60.35 -60.32 -56.00 -56.00 -55.78 -55.69 -57.89 -57.38 -56.75 -55.73 -56.25 -57.50 -57.98 -57.06 931 1-Bromo-2,2-dimethylpropane -30.82 -35.59 -35.85 -36.63 -40.43 -31.96 -33.36 -33.33 -32.26 -31.85 -34.39 -32.09 -32.11 -32.74 -31.86 -33.81 -34.61 -34.63 -33.89 -34.05 -34.09 -34.08 -34.57 -34.74 -32.27 -34.38 -35.54 -36.14 -31.42 -30.76 932 1-Bromo-2-methylpropane -32.03 -27.32 -27.50 -28.71 -32.70 -28.28 -27.66 -27.69 -27.54 -27.60 -27.88 -26.98 -27.58 -26.97 -26.84 -27.04 -27.38 -27.35 -27.18 -27.34 -26.84 -26.61 -27.19 -27.56 -26.99 -28.28 -28.35 -28.59 -24.37 -24.68 933 1-Bromo-3-methylbutane -29.99 -31.75 -31.92 -33.03 -37.04 -31.58 -31.79 -31.81 -31.11 -31.14 -31.85 -31.08 -31.22 -31.16 -30.59 -31.16 -31.35 -31.40 -31.59 -31.74 -31.32 -30.98 -31.44 -31.92 -30.88 -32.20 -32.46 -33.00 -29.07 -29.63 934 1-Bromo-4-methylbenzene 19.22 15.22 15.92 17.45 13.38 15.89 14.66 14.71 15.10 15.86 15.00 14.52 15.83 15.06 15.43 14.79 17.32 17.31 15.87 15.53 15.63 15.18 15.90 15.74 15.78 15.36 14.98 15.47 15.52 16.35 935 1-Bromobutane -25.91 -25.20 -25.39 -26.72 -30.64 -28.00 -26.68 -26.75 -26.95 -27.16 -26.35 -26.34 -27.01 -26.05 -26.17 -25.57 -25.56 -25.54 -25.82 -25.99 -25.22 -24.86 -25.38 -25.94 -26.15 -27.05 -26.59 -26.76 -23.12 -24.05 936 1-Bromodecane -53.39 -55.79 -56.08 failed -59.49 -51.94 -56.24 -56.28 -52.97 -52.52 -54.54 -55.54 -53.03 -55.91 -53.28 -54.91 -54.34 -54.62 -56.83 -56.61 -56.40 -55.74 -55.38 -56.04 -53.67 -54.97 -55.80 -57.19 -53.11 -54.63 937 1-Bromododecane -64.50 -65.98 -66.26 failed -69.07 -59.90 -66.08 -66.12 -61.63 -60.97 -63.92 -65.26 -61.69 -65.85 -62.30 -64.68 -63.93 -64.31 -67.17 -66.81 -66.79 -66.03 -65.38 -66.07 -62.83 -64.26 -65.52 -67.32 -63.11 -64.83 938 1-Bromoheptane -40.03 -40.51 -40.77 -42.02 -45.05 -40.00 -41.49 -41.54 -39.99 -39.87 -40.47 -40.96 -40.05 -41.00 -39.75 -40.26 -39.98 -40.11 -41.35 -41.33 -40.82 -40.32 -40.38 -41.01 -39.93 -41.05 -41.23 -42.01 -38.11 -39.32 939 1-Bromohexadecane -83.34 -86.33 failed failed -88.28 -75.79 -85.72 -85.74 -78.91 -77.81 -82.64 -84.65 -78.97 -85.70 -80.31 -84.18 -83.08 -83.66 -87.81 -87.18 -87.53 -86.57 -85.34 -86.09 -81.13 -82.81 -84.92 -87.54 -83.12 -85.24 940 1-Bromonaphthalene 43.50 37.13 38.56 42.03 37.21 43.27 38.03 38.29 39.37 41.75 37.98 37.77 41.35 37.82 38.83 35.96 42.16 42.08 40.47 39.92 38.84 37.84 39.95 40.24 40.84 39.53 37.71 38.57 42.65 44.24 941 1-Bromononane -48.46 -50.69 -50.98 -52.17 -54.66 -47.96 -51.32 -51.37 -48.64 -48.30 -49.85 -50.68 -48.70 -50.94 -48.77 -50.02 -49.56 -49.79 -51.67 -51.52 -51.20 -50.60 -50.37 -51.03 -49.09 -50.33 -50.94 -52.13 -48.11 -49.53 942 1-Bromooctane -44.37 -45.61 -45.87 -47.10 -49.88 -43.99 -46.41 -46.46 -44.32 -44.09 -45.17 -45.83 -44.38 -45.98 -44.27 -45.15 -44.76 -44.94 -46.51 -46.42 -46.02 -45.46 -45.39 -46.02 -44.51 -45.69 -46.09 -47.08 -43.11 -44.42 943 1-Bromopentane -30.84 -30.32 -30.53 -31.84 -35.44 -32.04 -31.65 -31.72 -31.33 -31.42 -31.09 -31.24 -31.38 -31.06 -30.73 -30.49 -30.40 -30.43 -31.01 -31.13 -30.44 -30.03 -30.40 -30.98 -30.76 -31.75 -31.50 -31.87 -28.13 -29.11 944 1-Butanethiol -20.98 -21.89 -20.99 -21.82 -21.24 -21.52 -21.45 -21.57 -20.72 -21.34 -21.34 -21.28 -21.37 -21.33 -20.66 -20.66 -21.20 -21.20 -22.03 -21.75 -21.59 -21.38 -21.20 -21.50 -21.30 -21.51 -21.48 -21.55 -20.23 -20.81 945 1-Butanol -65.74 -65.29 -65.63 -66.58 -65.76 -64.81 -64.17 -64.09 -62.63 -66.01 -65.32 -65.35 -66.12 -65.59 -64.46 -63.93 -67.47 -67.42 -65.16 -65.15 -64.70 -64.82 -65.95 -66.14 -66.01 -66.16 -65.82 -66.29 -64.95 -65.99 946 1-Chloro-1,1-difluoroethane -126.60 -127.93 -128.03 -128.31 -132.21 -131.59 -128.96 -129.12 -129.55 -130.75 -128.73 -129.34 -130.50 -128.76 -129.14 -127.59 -128.32 -128.26 -128.37 -128.74 -127.53 -127.17 -128.00 -128.38 -129.58 -129.71 -128.71 -128.72 -129.63 -128.91 947 1-Chloro-1-fluoroethane -74.95 -74.24 -74.04 -74.61 -76.87 -79.72 -75.95 -76.06 -77.36 -78.02 -75.79 -75.60 -77.63 -74.90 -75.95 -74.24 -74.34 -74.27 -74.31 -74.70 -73.42 -73.14 -73.88 -74.47 -76.05 -76.49 -75.38 -75.24 -73.64 -72.50 948 1-Chloro-2-ethoxyethane -72.01 -65.71 -65.85 -66.37 -68.34 -66.15 -64.31 -64.00 -65.87 -67.68 -66.18 -65.60 -67.91 -66.03 -67.37 -66.25 -69.07 -69.09 -66.43 -66.36 -66.26 -65.10 -66.49 -66.38 -68.28 -66.87 -66.09 -67.17 -65.11 -65.01 949 1-Chloro-2-methylpropane -38.35 -39.06 -38.62 -39.22 -39.63 -40.90 -39.29 -39.39 -39.50 -39.60 -39.04 -38.47 -39.46 -38.15 -38.23 -37.81 -38.09 -38.04 -38.24 -38.44 -37.56 -37.21 -37.92 -38.46 -38.44 -39.67 -39.34 -39.55 -35.04 -37.02 950 1-Chloro-2-nitrobenzene 8.89 12.86 12.62 16.09 9.98 17.52 9.50 9.40 13.02 15.57 12.43 8.40 14.94 9.19 12.12 9.73 13.80 13.75 10.74 10.94 10.04 10.22 12.57 13.39 13.30 14.25 12.81 12.91 12.68 12.47 951 1-Chloro-2-propanol -71.01 -71.01 -70.85 -71.89 -73.11 -69.15 -68.24 -68.08 -67.11 -70.86 -70.35 -69.49 -71.09 -70.23 -69.48 -69.09 -73.14 -73.08 -70.54 -70.68 -70.16 -69.67 -71.32 -71.48 -71.42 -71.05 -70.74 -71.58 -70.34 -71.33 952 1-Chloro-3-methylbutane -43.00 -43.88 -43.46 -43.90 -44.13 -44.13 -43.64 -43.72 -43.14 -43.11 -43.52 -42.60 -43.11 -42.50 -42.05 -42.39 -42.52 -42.55 -42.98 -43.21 -42.42 -42.03 -42.62 -43.17 -42.39 -43.76 -43.89 -44.36 -39.62 -41.85 953 1-Chloro-3-nitrobenzene 8.89 7.01 7.02 10.28 4.44 11.26 3.55 3.46 6.82 8.91 6.24 1.96 8.29 2.69 5.42 3.38 7.47 7.40 4.33 4.40 3.85 3.98 6.38 6.97 6.60 8.06 6.86 6.73 10.51 10.69 954 1-Chloro-4-nitrobenzene 8.89 6.59 6.57 9.69 3.97 10.42 2.68 2.60 5.96 8.09 5.43 1.08 7.46 1.84 4.58 2.55 6.71 6.64 3.62 3.71 3.17 3.29 5.70 6.29 5.83 7.33 6.14 5.99 9.41 9.90 955 1-Chloronaphthalene 28.62 24.58 26.66 30.62 27.49 29.20 24.98 25.16 26.11 28.31 25.48 24.82 28.03 25.22 26.11 23.95 30.16 30.09 28.24 27.67 26.95 26.24 28.04 28.09 28.04 27.04 25.71 26.50 30.38 29.88 956 1-Chlorooctane -56.97 -57.26 -56.92 -57.60 -56.64 -56.48 -57.96 -58.08 -56.20 -55.97 -56.31 -57.20 -56.13 -57.08 -55.57 -55.90 -55.41 -55.57 -57.48 -57.44 -56.68 -56.05 -56.07 -56.85 -55.85 -56.99 -57.04 -58.01 -53.85 -56.00 957 1-Chloropentane -41.81 -41.99 -41.60 -42.36 -42.23 -44.53 -43.20 -43.33 -43.20 -43.30 -42.24 -42.62 -43.14 -42.16 -42.03 -41.24 -41.05 -41.06 -41.99 -42.16 -41.10 -40.61 -41.08 -41.81 -42.10 -43.05 -42.46 -42.81 -38.87 -40.69 958 (1E)-1-chlorobut-1-ene -5.83 -7.90 -7.09 -7.08 -7.45 -13.42 -9.39 -9.52 -10.37 -10.72 -8.45 -8.30 -10.25 -7.11 -7.82 -6.10 -6.43 -6.40 -6.94 -7.13 -5.74 -5.45 -6.38 -7.24 -8.43 -8.72 -7.59 -7.45 -8.31 -9.20 959 1-ethoxy-2-(2-ethoxyethoxy)ethane -138.62 -135.93 -137.74 -137.32 -140.64 -128.21 -130.93 -129.79 -131.42 -135.44 -136.02 -135.12 -136.96 -137.01 -138.04 -138.57 -146.44 -146.76 -138.51 -137.65 -140.23 -137.84 -140.43 -138.35 -140.79 -135.84 -136.13 -139.21 -143.46 -143.40 960 1-Ethoxypropane -65.06 -64.44 -65.17 -65.49 -65.76 -65.62 -64.58 -64.33 -65.23 -66.49 -65.45 -65.43 -66.70 -65.33 -65.95 -65.16 -67.78 -67.79 -65.24 -65.02 -65.10 -64.46 -65.65 -65.31 -66.78 -66.09 -65.59 -66.31 -63.71 -64.07 961 Ethyl(propyl)amine -22.11 -21.96 -22.39 -23.04 -21.59 -20.35 -22.21 -21.97 -19.73 -22.02 -22.24 -24.00 -22.37 -23.28 -21.53 -21.71 -23.28 -23.31 -22.25 -22.15 -21.59 -21.27 -22.23 -22.12 -22.80 -22.79 -22.86 -23.59 -20.06 -20.95 962 1-Fluoro-2-methylbutane -83.15 -80.81 -81.12 -81.40 -81.56 -82.60 -81.48 -81.52 -81.45 -81.37 -81.45 -80.35 -81.27 -80.16 -80.11 -80.18 -80.14 -80.13 -80.35 -80.39 -79.81 -80.18 -80.01 -80.51 -80.28 -81.80 -81.83 -82.09 -76.61 -74.06 963 1-Fluorodecane -102.34 -104.64 -105.03 failed -103.83 -102.81 -105.68 -105.74 -103.10 -102.57 -103.99 -104.59 -102.87 -104.68 -102.59 -103.74 -102.70 -102.92 -105.29 -105.05 -104.59 -104.76 -103.65 -104.45 -102.80 -104.36 -104.97 -105.99 -101.61 -99.64 964 1-Fluorododecane -112.19 -114.82 -115.24 failed -113.41 -110.77 -115.51 -115.56 -111.75 -111.01 -113.36 -114.29 -111.52 -114.61 -111.60 -113.50 -112.28 -112.60 -115.62 -115.24 -114.97 -115.04 -113.64 -114.47 -111.96 -113.64 -114.68 -116.10 -111.62 -109.84 965 1-Fluoroheptane -87.55 -89.38 -89.72 -90.17 -89.44 -90.88 -90.93 -91.00 -90.12 -89.92 -89.93 -90.02 -89.89 -89.77 -89.06 -89.10 -88.33 -88.40 -89.80 -89.76 -89.02 -89.34 -88.66 -89.42 -89.06 -90.43 -90.40 -90.81 -86.62 -84.34 966 1-Fluorohexane -82.62 -84.31 -84.62 -85.10 -84.64 -86.90 -86.02 -86.09 -85.79 -85.70 -85.24 -85.16 -85.56 -84.80 -84.55 -84.22 -83.53 -83.56 -84.63 -84.65 -83.83 -84.20 -83.67 -84.41 -84.48 -85.79 -85.54 -85.75 -81.62 -79.24 967 1-Fluorononane -97.42 -99.56 -99.92 -100.33 -99.03 -98.84 -100.77 -100.83 -98.78 -98.36 -99.31 -99.74 -98.55 -99.71 -98.09 -98.87 -97.92 -98.08 -100.13 -99.95 -99.41 -99.63 -98.66 -99.44 -98.23 -99.72 -100.12 -100.93 -96.61 -94.54 968 1-Fluorooctane -92.47 -94.47 -94.82 -95.25 -94.23 -94.86 -95.85 -95.92 -94.45 -94.14 -94.62 -94.88 -94.22 -94.74 -93.58 -93.99 -93.12 -93.24 -94.96 -94.85 -94.21 -94.49 -93.66 -94.43 -93.65 -95.08 -95.26 -95.87 -91.61 -89.44 969 1-Fluoropentane -77.70 -79.23 -79.54 -80.03 -79.86 -82.92 -81.10 -81.18 -81.46 -81.48 -80.56 -80.30 -81.23 -79.83 -80.04 -79.34 -78.75 -78.72 -79.47 -79.57 -78.64 -79.06 -78.68 -79.40 -79.90 -81.15 -80.69 -80.69 -76.64 -74.13 970 1-Fluoropropane -68.08 -69.42 -69.74 -70.24 -70.73 -75.09 -71.47 -71.56 -72.96 -73.18 -71.42 -70.72 -72.74 -70.06 -71.16 -69.80 -69.49 -69.41 -69.41 -69.63 -68.63 -69.03 -69.07 -69.63 -70.96 -72.11 -71.27 -70.91 -66.31 -63.77 971 1-Fluorotetradecane -122.06 -125.00 -125.41 failed -123.01 -118.72 -125.34 -125.38 -120.40 -119.44 -122.73 -124.00 -120.17 -124.54 -120.61 -123.26 -121.86 -122.29 -125.95 -125.43 -125.36 -125.32 -123.63 -124.49 -121.11 -122.92 -124.38 -126.22 -121.62 -120.05 972 1-Fluoroundecane -107.27 -109.74 -110.13 failed -108.63 -106.79 -110.60 -110.65 -107.42 -106.79 -108.68 -109.44 -107.20 -109.64 -107.10 -108.62 -107.49 -107.76 -110.46 -110.15 -109.79 -109.90 -108.65 -109.46 -107.38 -109.00 -109.82 -111.05 -106.62 -104.74 973 1-Methyl-2-nitrobenzene 11.26 7.98 7.46 10.81 6.59 12.44 4.03 4.03 7.60 10.24 6.59 3.23 9.50 3.72 6.63 3.84 8.04 7.94 5.38 5.61 4.63 4.44 6.70 7.59 7.95 8.78 7.07 7.08 8.34 8.86 974 1-Methyl-3-nitrobenzene 6.17 5.63 5.13 8.47 3.99 9.31 1.35 1.30 4.99 7.17 4.04 0.15 6.53 0.88 3.88 1.49 5.83 5.74 2.71 2.89 2.12 1.81 4.33 5.05 5.09 6.05 4.58 4.70 8.51 8.22 975 1-Methylisoquinoline 46.85 37.04 38.13 42.11 40.35 45.26 38.47 38.97 40.73 41.39 37.48 36.20 40.68 36.24 37.80 34.80 40.20 40.07 39.05 38.62 37.39 36.73 38.49 39.07 39.09 39.35 37.48 37.63 39.99 38.93 976 1-Methylpyrrolidin-2-one -50.39 -49.87 -50.85 -50.47 -51.54 -41.82 -48.77 -48.44 -46.47 -47.94 -49.70 -53.71 -48.71 -54.16 -52.54 -53.88 -53.96 -53.98 -54.11 -54.33 -55.00 -54.32 -53.50 -52.51 -52.78 -49.44 -50.23 -51.46 -51.12 -50.10 977 1-Nitroethene 7.96 8.03 7.06 8.37 6.00 6.42 4.83 4.64 6.13 6.62 6.57 4.51 6.52 5.51 6.67 6.65 7.34 7.37 5.88 6.23 6.35 6.43 7.27 7.52 6.58 7.54 7.53 7.52 9.13 8.08 978 1-Nitropropane -29.80 -29.08 -30.57 -29.74 -31.72 -28.45 -33.08 -33.38 -30.52 -29.57 -30.55 -34.22 -29.89 -33.53 -31.27 -32.01 -30.95 -30.93 -32.96 -32.67 -32.67 -32.48 -30.79 -30.39 -30.75 -30.27 -30.71 -31.00 -26.78 -27.92 979 Nonanol -90.32 -90.72 -91.12 -91.96 -89.73 -84.74 -88.79 -88.70 -84.30 -87.13 -88.78 -89.67 -87.79 -90.47 -87.04 -88.36 -91.47 -91.66 -91.02 -90.66 -90.67 -90.54 -90.95 -91.22 -88.94 -89.40 -90.12 -91.61 -89.98 -91.50 980 Octanol -85.40 -85.52 -85.93 -86.81 -84.87 -80.81 -83.98 -83.89 -80.04 -82.88 -84.15 -84.84 -83.41 -85.50 -82.50 -83.52 -86.68 -86.82 -85.82 -85.58 -85.44 -85.44 -85.91 -86.25 -84.28 -84.69 -85.24 -86.52 -86.97 -88.07 981 1-Phenylpropanol -38.10 -37.07 -36.42 -34.76 -35.37 -29.60 -33.56 -33.19 -30.40 -32.63 -35.57 -34.49 -33.32 -35.58 -33.32 -35.61 -36.89 -37.03 -35.64 -35.83 -36.49 -36.97 -37.27 -37.11 -34.86 -34.59 -35.98 -36.58 -36.68 -38.03 982 1-Phenylethanol -36.47 -32.56 -31.91 -30.25 -31.13 -26.60 -29.21 -28.85 -26.62 -29.34 -31.35 -30.47 -29.90 -31.24 -29.43 -30.98 -32.34 -32.40 -31.02 -31.20 -31.77 -32.22 -32.70 -32.44 -31.10 -30.72 -31.67 -31.92 -30.59 -31.79 983 1-Propanethiol -16.13 -16.81 -15.89 -16.74 -16.43 -17.53 -16.54 -16.67 -16.39 -17.12 -16.64 -16.43 -17.04 -16.37 -16.15 -15.77 -16.43 -16.39 -16.89 -16.67 -16.42 -16.24 -16.23 -16.50 -16.72 -16.86 -16.61 -16.48 -15.27 -15.78 984 Propanol -60.91 -60.37 -60.71 -61.68 -61.13 -60.93 -59.37 -59.30 -58.40 -61.89 -60.77 -60.61 -61.89 -60.74 -60.06 -59.18 -62.85 -62.77 -60.13 -60.21 -59.66 -59.81 -61.11 -61.27 -61.54 -61.64 -61.10 -61.36 -60.12 -61.11 985 (1Z)-1-bromoprop-1-ene 10.28 8.89 9.29 8.67 5.74 3.75 7.35 7.29 6.26 5.93 7.61 8.33 6.33 9.20 8.33 9.62 8.93 8.99 9.14 9.01 10.10 10.20 9.25 8.65 7.78 7.60 8.43 8.71 7.59 7.80 986 (1Z)-1-fluoropent-1-ene -53.88 -50.89 -50.80 -50.93 -50.77 -56.62 -53.29 -53.36 -53.88 -53.98 -52.55 -51.82 -53.58 -50.81 -51.27 -50.18 -50.06 -50.03 -50.72 -50.91 -49.65 -50.11 -50.35 -51.17 -51.83 -52.37 -51.68 -51.41 -51.26 -50.55 987 2,2,2-Trifluoroethanol -212.33 -211.25 -211.98 -212.54 -216.36 -207.64 -207.21 -207.13 -206.23 -211.33 -210.49 -210.52 -211.59 -211.71 -211.06 -210.40 -215.11 -215.04 -211.53 -211.83 -211.14 -211.63 -212.32 -212.50 -212.46 -211.73 -211.34 -212.08 -210.12 -209.67 988 2,2,3,3-Tetrafluoro-1-propanol -253.66 -253.41 -254.42 -254.39 -260.45 -248.42 -248.24 -247.96 -247.35 -252.64 -252.48 -251.06 -253.13 -252.94 -252.52 -252.39 -257.38 -257.35 -253.83 -253.84 -253.93 -254.15 -254.40 -254.16 -254.48 -253.32 -253.25 -254.56 -250.31 -247.81 989 2,2,4,4-Tetramethyllpentan-3-one -82.42 -83.08 -83.63 -81.86 -82.22 -68.00 -73.80 -73.49 -70.05 -70.19 -78.07 -71.24 -71.30 -74.23 -71.49 -77.65 -80.72 -81.15 -79.84 -79.77 -81.28 -81.68 -81.77 -81.52 -73.94 -76.16 -79.94 -81.75 -79.01 -82.38 990 2,2-Dichloro-1,1,1-trifluoroethane -177.80 -180.41 -180.13 -179.94 -186.95 -178.06 -177.20 -177.36 -177.40 -179.43 -178.11 -178.82 -179.51 -179.35 -179.41 -178.39 -180.43 -180.38 -179.68 -179.53 -179.25 -178.46 -179.17 -179.30 -179.82 -179.54 -178.85 -179.39 -179.86 -178.14 991 2,2-Dichloropropane -41.81 -42.89 -42.20 -42.29 -45.15 -43.01 -41.33 -41.38 -41.52 -41.85 -41.45 -40.52 -41.77 -40.35 -40.44 -40.12 -40.84 -40.77 -40.66 -40.86 -40.23 -39.78 -40.73 -40.91 -41.03 -42.25 -41.99 -41.89 -44.69 -44.85 992 2,2-Dimethylpropanol -72.20 -75.77 -76.12 -76.38 -76.08 -69.37 -71.13 -70.96 -68.23 -71.35 -73.26 -71.69 -71.88 -72.67 -70.55 -72.03 -76.79 -76.80 -73.62 -73.49 -73.84 -73.98 -75.35 -75.12 -72.83 -73.83 -74.72 -75.79 -72.17 -72.24 993 2,2-Dimethylpropanal -59.66 -59.06 -59.37 -58.76 -59.08 -56.09 -55.49 -55.43 -54.70 -56.58 -57.80 -54.99 -56.77 -55.96 -55.44 -56.37 -58.86 -58.83 -58.43 -58.17 -58.35 -58.91 -59.03 -59.40 -57.18 -57.86 -58.41 -59.03 -53.29 -56.72 994 2,2-Dimethylpropanenitrile -0.60 -1.14 -1.42 -0.12 0.21 4.95 6.91 7.18 6.48 4.08 3.23 7.13 3.97 5.90 5.37 4.71 1.05 1.08 2.11 2.61 2.10 1.69 1.13 0.70 2.91 1.00 0.61 0.09 2.79 1.47 995 2-(2-ethoxyethoxy)ethyl acetate -185.47 -181.49 -183.41 -182.83 -187.21 -169.98 -173.34 -172.01 -173.80 -180.10 -181.01 -179.08 -181.86 -182.49 -183.62 -184.37 -194.28 -194.49 -186.59 -185.42 -187.87 -185.85 -187.74 -185.90 -187.70 -180.81 -181.24 -184.93 -185.93 -183.18 996 2,3,5-Trimethylthiophene 4.07 1.78 3.14 5.44 4.40 8.54 3.04 2.71 4.87 8.26 6.05 2.72 8.14 3.50 5.22 3.53 6.17 6.11 4.66 4.58 3.84 2.85 5.11 5.87 7.26 5.75 4.58 5.85 -1.46 -0.87 997 2,3-Dichloropropanol -75.60 -75.76 -74.99 -76.16 -78.98 -71.53 -71.51 -71.29 -70.31 -74.12 -74.29 -72.97 -74.50 -74.33 -73.55 -73.68 -77.83 -77.81 -75.02 -75.07 -74.77 -74.04 -75.60 -75.88 -75.35 -74.57 -74.55 -75.59 -76.08 -77.53 998 2,3-Dihydrofuran -17.27 -17.87 -17.88 -17.76 -18.16 -16.65 -17.55 -17.54 -18.93 -18.15 -16.92 -19.20 -18.20 -19.28 -20.28 -19.31 -20.18 -20.08 -18.82 -18.99 -19.83 -19.15 -19.68 -19.06 -19.61 -17.29 -16.67 -16.96 -27.28 -25.09 999 (Oxiran-2-yl)methanol -58.63 -56.18 -56.87 -56.97 -58.28 -51.39 -53.24 -53.43 -54.17 -55.32 -54.29 -56.71 -55.62 -57.92 -58.44 -57.63 -63.24 -63.16 -58.59 -58.12 -58.89 -58.18 -58.99 -58.27 -57.60 -55.32 -54.82 -55.88 -58.33 -57.55 1000 2,3-Xylenol -37.57 -38.32 -37.83 -36.21 -37.02 -33.52 -37.71 -37.48 -34.13 -35.99 -38.39 -38.98 -36.51 -39.19 -36.54 -38.38 -39.41 -39.49 -37.95 -38.23 -38.37 -39.07 -39.27 -39.05 -37.68 -37.19 -38.34 -38.47 -38.56 -39.86 1001 2,4-Dichorotoluene -3.25 -5.93 -4.29 -1.81 -6.28 -3.79 -5.49 -5.52 -4.80 -3.71 -4.72 -5.57 -3.77 -4.94 -4.31 -5.09 -2.47 -2.51 -3.99 -4.54 -4.06 -4.07 -3.40 -3.73 -3.87 -4.14 -4.56 -4.24 -5.70 -6.14 1002 2,4-Dimethylaniline 5.60 4.50 5.04 6.85 6.76 9.76 4.01 4.37 9.13 6.92 4.03 1.78 6.33 2.66 6.37 4.15 5.04 4.92 5.15 4.72 5.07 4.33 4.40 4.66 5.14 5.28 3.90 3.81 4.34 4.12 1003 2,4-Dimethylpentan-3-ol -85.06 -86.96 -87.46 -87.43 -86.80 -76.97 -81.28 -81.05 -76.96 -79.55 -83.59 -81.15 -80.41 -82.74 -79.55 -82.71 -87.50 -87.72 -84.73 -84.67 -85.30 -85.12 -86.53 -86.16 -82.17 -83.40 -85.30 -87.02 -82.93 -84.40 1004 2,4-Pentanediol -115.27 -113.37 -114.10 -115.00 -115.02 -103.83 -106.92 -106.50 -102.01 -108.86 -111.00 -109.51 -109.81 -111.46 -108.01 -109.68 -117.70 -117.79 -112.67 -112.56 -112.98 -112.87 -115.00 -114.59 -112.16 -111.28 -112.28 -114.07 -116.86 -116.48 1005 2,4-Pentanedione -92.50 -86.86 -87.59 -86.88 -88.09 -85.57 -84.47 -84.26 -83.22 -87.53 -88.14 -84.95 -87.79 -86.56 -85.91 -86.37 -89.90 -89.89 -90.50 -90.14 -89.95 -90.49 -90.17 -90.68 -89.00 -87.04 -87.32 -88.25 -94.83 -95.97 1006 2,6-Dimethyl-4-heptanone -85.47 -84.18 -84.70 -84.08 -83.45 -76.50 -80.30 -80.17 -76.60 -78.24 -82.31 -79.35 -78.97 -80.97 -78.24 -81.44 -83.68 -83.99 -84.76 -84.46 -84.96 -85.07 -84.81 -84.88 -80.74 -81.30 -83.23 -84.61 -83.31 -84.84 1007 2,6-Dimethylaniline 6.07 3.41 4.04 5.81 5.72 9.69 3.45 3.84 8.71 6.68 3.27 1.40 6.01 2.09 5.88 3.27 3.93 3.81 4.38 4.03 4.26 3.48 3.49 3.72 4.61 4.66 3.04 2.78 5.65 5.13 1008 2,6-Xylenol -38.66 -39.43 -38.92 -37.17 -38.29 -34.72 -38.85 -38.64 -35.33 -37.11 -39.28 -40.21 -37.61 -40.27 -37.65 -39.31 -40.31 -40.38 -38.81 -39.16 -39.28 -39.92 -40.18 -39.93 -38.73 -38.26 -39.29 -39.41 -37.33 -39.51 1009 2-(acetyloxy)ethyl acetate -192.88 -189.69 -191.57 -190.28 -194.76 -177.11 -180.69 -179.60 -179.94 -186.50 -189.64 -185.30 -188.10 -189.11 -189.26 -191.74 -200.85 -201.07 -195.47 -194.79 -196.55 -195.29 -196.73 -195.26 -194.00 -188.14 -189.67 -192.49 -192.64 -191.09 1010 2-Aminoethanol -49.40 -46.48 -46.79 -48.39 -47.47 -41.44 -42.77 -42.33 -38.87 -46.03 -46.08 -46.79 -46.54 -47.34 -44.70 -44.73 -50.57 -50.53 -46.15 -46.38 -45.77 -45.94 -47.90 -47.71 -47.81 -46.73 -46.75 -47.66 -48.27 -47.67 1011 2-Bromo-2-methylpropane -31.79 -31.92 -32.40 -33.29 -36.33 -31.25 -31.08 -31.05 -30.58 -30.58 -31.75 -30.07 -30.65 -30.17 -29.80 -30.67 -31.17 -31.12 -30.45 -30.65 -30.50 -30.73 -31.19 -31.18 -30.15 -32.07 -32.61 -32.58 -31.68 -29.09 1012 2-Bromo-3-methylbutane -31.25 -34.28 -34.63 -35.64 -38.51 -32.09 -33.20 -33.16 -32.25 -31.74 -33.81 -31.84 -31.94 -32.34 -31.61 -33.19 -33.56 -33.58 -33.05 -33.17 -33.12 -33.19 -33.58 -33.69 -31.78 -33.78 -34.74 -35.06 -31.54 -30.82 1013 2-Bromobutane -28.85 -28.43 -28.75 -30.02 -33.29 -29.71 -29.11 -29.13 -28.92 -28.93 -29.29 -28.30 -28.89 -28.25 -28.09 -28.35 -28.48 -28.44 -28.24 -28.41 -27.93 -27.89 -28.37 -28.56 -28.16 -29.56 -29.71 -29.68 -26.51 -26.11 1014 2-Bromopentane -29.99 -30.33 -30.70 -31.88 -34.48 -29.71 -30.35 -30.34 -29.47 -29.18 -31.07 -28.99 -29.31 -29.40 -28.71 -30.16 -30.25 -30.28 -30.16 -30.52 -29.97 -29.93 -30.21 -30.43 -28.86 -30.56 -31.46 -31.62 -29.21 -28.64 1015 2-Bromopropene 10.99 7.16 7.41 7.04 3.97 2.88 6.54 6.51 5.55 5.02 6.46 7.52 5.38 8.36 7.54 8.66 7.74 7.80 8.12 7.98 8.89 8.80 7.90 7.41 6.74 6.36 7.08 7.41 5.11 6.07 1016 2-Butanethiol -23.09 -24.53 -23.63 -24.26 -23.95 -22.31 -23.07 -23.14 -21.85 -22.20 -23.51 -22.41 -22.36 -22.73 -21.73 -22.71 -23.48 -23.46 -23.80 -23.48 -23.57 -23.70 -23.44 -23.58 -22.47 -23.21 -23.83 -23.73 -23.77 -22.80 1017 2-Butoxyethanol -105.40 -103.65 -104.51 -105.26 -105.79 -98.23 -99.85 -99.31 -98.14 -102.81 -103.12 -102.65 -103.61 -104.08 -103.06 -103.33 -109.58 -109.65 -104.68 -104.32 -104.97 -104.36 -105.87 -105.38 -105.54 -103.52 -103.64 -105.44 -109.08 -108.80 1018 2-Chloro-1,1,2,2-tetrafluoroethane -221.01 -220.81 -221.14 -220.89 -227.47 -220.58 -219.07 -219.24 -219.74 -221.73 -220.13 -220.72 -221.70 -221.13 -221.57 -220.35 -221.72 -221.65 -221.09 -221.21 -220.48 -220.27 -220.41 -220.78 -221.56 -221.38 -220.58 -221.00 -219.98 -216.90 1019 2-Chloro-1,1,1-trifluoroethane -177.29 -179.31 -179.39 -179.63 -184.39 -179.56 -177.57 -177.74 -178.48 -180.59 -178.74 -179.28 -180.49 -179.59 -180.19 -178.77 -180.07 -180.01 -179.58 -179.82 -178.78 -178.56 -178.88 -179.40 -180.30 -180.20 -179.27 -179.65 -177.50 -175.90 1020 2-Chloroaniline 13.70 10.77 11.81 12.96 11.24 14.58 10.34 10.73 14.12 11.62 10.06 7.59 11.15 8.46 11.11 9.93 10.63 10.62 10.91 10.43 11.11 10.87 10.63 10.79 9.98 11.09 10.40 10.29 12.02 11.41 1021 2-Chlorobutane -38.82 -40.50 -40.14 -40.74 -41.22 -42.69 -41.02 -41.11 -41.20 -41.31 -40.72 -40.14 -41.16 -39.77 -39.83 -39.38 -39.50 -39.45 -39.75 -39.94 -39.05 -38.76 -39.48 -39.87 -40.06 -41.32 -40.98 -40.97 -38.61 -40.77 1022 2-Chloroethanol -62.62 -61.65 -61.37 -62.53 -63.64 -61.44 -59.16 -59.04 -59.04 -63.08 -61.50 -60.86 -63.11 -61.51 -61.51 -60.30 -64.21 -64.14 -61.39 -61.60 -60.87 -60.47 -62.02 -62.38 -63.06 -62.41 -61.60 -62.24 -61.12 -61.77 1023 2-Chloronaphthalene 30.71 24.52 26.68 30.46 27.45 28.25 24.40 24.56 25.57 27.40 25.08 23.96 27.16 24.56 25.48 23.70 29.80 29.73 27.67 27.05 26.50 25.86 27.65 27.58 27.23 26.55 25.48 26.11 29.74 30.14 1024 2-Chloropropane -34.60 -35.19 -34.82 -35.46 -36.05 -39.01 -36.14 -36.25 -36.95 -37.33 -35.86 -35.50 -37.03 -34.86 -35.41 -34.28 -34.46 -34.38 -34.50 -34.77 -33.71 -33.42 -34.29 -34.75 -35.62 -36.67 -35.92 -35.76 -34.06 -35.24 1025 2-Chloropropene -5.01 -5.62 -4.80 -4.72 -5.53 -11.00 -6.40 -6.51 -7.64 -8.23 -6.01 -5.27 -7.75 -4.12 -5.07 -3.37 -4.16 -4.09 -4.05 -4.28 -2.98 -2.85 -4.01 -4.68 -5.91 -6.24 -5.15 -4.83 -7.34 -7.57 1026 2-Chlorotoluene 4.35 1.73 3.04 5.08 2.83 2.00 1.27 1.28 1.50 2.52 1.90 1.58 2.55 2.20 2.44 1.97 4.52 4.53 3.25 2.87 3.19 2.84 3.30 3.05 2.92 2.42 2.15 2.70 3.80 2.55 1027 (2E)-2-butenenitrile 33.73 35.30 35.33 36.79 37.37 33.60 39.52 39.80 37.37 34.74 36.69 40.26 35.11 40.14 38.17 39.66 36.82 36.87 37.79 38.15 38.66 38.43 37.19 36.38 35.95 35.18 36.11 36.08 34.88 32.79 1028 2-Ethoxy-2-methylpropane -75.02 -75.70 -76.58 -76.20 -76.83 -71.33 -72.47 -72.10 -71.79 -72.86 -74.51 -72.47 -73.45 -73.17 -72.83 -74.13 -77.70 -77.82 -74.73 -74.61 -75.23 -74.48 -76.02 -75.26 -74.58 -74.64 -75.42 -76.64 -76.20 -75.37 1029 2-Ethoxyethanol -95.60 -93.95 -94.80 -95.54 -96.57 -90.61 -90.38 -89.86 -89.80 -94.67 -94.11 -93.27 -95.26 -94.46 -94.33 -93.91 -100.29 -100.29 -94.67 -94.47 -94.94 -94.41 -96.25 -95.72 -96.68 -94.58 -94.31 -95.70 -99.08 -98.69 1030 2-Ethoxyethyl acetate -146.03 -143.20 -144.69 -144.26 -147.30 -136.47 -137.86 -136.99 -138.39 -143.04 -143.47 -141.64 -144.12 -143.92 -144.85 -145.21 -152.26 -152.37 -147.05 -146.37 -147.70 -146.47 -147.95 -146.82 -147.86 -143.38 -143.58 -145.91 -147.79 -144.36 1031 2-Ethylbutanol -76.29 -76.01 -76.35 -76.89 -76.02 -70.67 -72.85 -72.71 -69.76 -72.59 -74.41 -73.31 -73.09 -74.28 -71.98 -73.42 -77.16 -77.27 -75.01 -74.93 -75.01 -75.01 -76.09 -76.09 -73.89 -74.61 -75.47 -76.61 -74.54 -75.84 1032 2-Ethylhexanol -87.31 -85.04 -85.43 -85.92 -84.56 -77.56 -81.77 -81.60 -77.43 -79.82 -82.95 -81.84 -80.56 -83.07 -79.81 -82.28 -85.71 -85.97 -84.23 -84.23 -84.38 -84.31 -85.10 -85.18 -81.79 -82.72 -84.19 -85.75 -86.15 -87.18 1033 2-Ethylhexyl acetate -136.23 -136.32 -137.34 failed -137.18 -124.54 -130.39 -129.89 -127.15 -129.56 -134.00 -131.58 -130.78 -133.97 -131.73 -135.28 -139.42 -139.91 -138.21 -137.92 -138.95 -138.21 -138.55 -138.06 -134.47 -133.11 -135.24 -137.71 -134.18 -134.07 1034 2-Fluoro-2-methylbutane -83.98 -88.88 -89.46 -89.47 -90.06 -89.86 -88.95 -88.94 -88.38 -88.78 -89.02 -87.78 -88.80 -87.59 -87.18 -87.36 -88.05 -88.04 -88.40 -88.36 -87.98 -87.99 -88.38 -88.41 -88.30 -89.57 -89.67 -90.10 -84.24 -84.24 1035 2-Fluoropropene -44.39 -45.13 -45.10 -45.11 -45.62 -52.48 -47.49 -47.56 -48.81 -49.60 -47.29 -46.34 -49.05 -45.10 -46.16 -44.38 -44.88 -44.79 -44.85 -45.19 -43.74 -44.16 -44.98 -45.65 -47.07 -47.22 -46.14 -45.61 -45.82 -45.79 1036 2-Fluorotoluene -35.25 -36.06 -35.44 -33.80 -35.67 -38.94 -38.97 -38.92 -38.88 -38.20 -38.09 -38.73 -38.07 -37.87 -37.78 -37.68 -35.06 -35.03 -36.40 -36.83 -36.32 -37.02 -36.41 -36.66 -37.39 -37.26 -37.20 -36.69 -33.04 -33.79 1037 2-Heptanol -84.37 -84.99 -85.49 -86.12 -84.82 -80.11 -82.70 -82.57 -78.94 -82.12 -83.32 -83.55 -82.67 -84.16 -81.35 -82.31 -86.12 -86.22 -84.72 -84.48 -84.52 -84.29 -85.36 -85.29 -83.62 -84.04 -84.57 -85.75 -84.13 -85.24 1038 2-Heptanone -71.81 -71.59 -72.02 -72.08 -71.83 -70.53 -71.04 -71.02 -69.13 -71.34 -71.75 -70.98 -71.56 -71.67 -70.26 -70.60 -72.40 -72.47 -73.82 -73.40 -73.07 -73.22 -73.01 -73.49 -72.16 -71.77 -71.92 -72.71 -72.88 -74.98 1039 2-Mercaptoethanol -47.08 -46.58 -45.81 -47.07 -47.48 -42.69 -42.57 -42.42 -41.13 -45.53 -45.43 -44.58 -45.85 -45.79 -44.79 -44.69 -49.22 -49.17 -46.69 -46.39 -46.62 -46.45 -47.21 -47.18 -46.98 -45.62 -45.56 -46.12 -48.40 -48.07 1040 2-Methoxyethanol -88.58 -85.75 -86.56 -87.12 -88.42 -83.04 -82.11 -81.61 -82.03 -86.82 -86.12 -84.93 -87.32 -86.08 -86.33 -85.78 -92.21 -92.17 -86.05 -85.88 -86.43 -86.02 -87.98 -87.42 -88.43 -86.43 -86.10 -87.29 -92.60 -91.58 1041 2-Methoxyphenol -59.51 -54.77 -54.70 -53.27 -56.24 -49.41 -52.69 -52.02 -50.79 -54.30 -55.97 -55.72 -55.13 -56.66 -55.55 -56.83 -60.71 -60.75 -55.82 -56.07 -56.87 -56.82 -57.97 -57.10 -57.31 -54.29 -55.09 -56.04 -56.66 -57.83 1042 2-Methyl-1,3-pentanediol -115.68 -116.06 -116.74 -117.48 -117.49 -103.98 -108.56 -108.08 -103.26 -109.53 -112.79 -110.82 -110.65 -113.29 -109.54 -112.08 -120.29 -120.43 -114.94 -114.79 -115.58 -115.39 -117.46 -116.91 -113.48 -112.84 -114.36 -116.45 -119.27 -119.62 1043 2-Methyl-1-butanol -72.19 -71.96 -72.29 -72.94 -72.16 -68.19 -69.26 -69.14 -66.75 -69.88 -70.81 -70.00 -70.26 -70.71 -68.87 -69.59 -73.61 -73.63 -71.12 -71.00 -70.94 -71.01 -72.20 -72.20 -70.77 -71.31 -71.74 -72.63 -69.70 -70.70 1044 2-Methyl-1-propanol -67.77 -67.33 -67.67 -68.46 -67.88 -65.46 -65.45 -65.35 -63.52 -66.74 -66.90 -66.33 -66.95 -66.73 -65.33 -65.45 -69.45 -69.40 -66.67 -66.71 -66.41 -66.60 -67.84 -67.94 -67.09 -67.50 -67.56 -68.17 -67.65 -68.14 1045 2-(tert-butoxy)-2-methylpropane -86.52 -87.51 -88.54 -87.31 -88.19 -75.76 -80.25 -79.73 -77.61 -78.15 -83.91 -78.86 -79.31 -80.76 -78.98 -83.52 -88.06 -88.43 -84.66 -84.76 -86.05 -85.09 -86.95 -85.78 -81.75 -82.79 -85.57 -87.62 -90.87 -88.54 1046 2-Methyl-2,4-pentanediol -127.82 -121.80 -122.64 -123.00 -123.31 -108.44 -113.19 -112.69 -107.24 -113.96 -117.79 -115.28 -115.21 -117.72 -113.51 -116.49 -125.11 -125.28 -119.98 -119.86 -120.78 -120.43 -122.86 -122.04 -118.31 -117.85 -119.66 -121.86 -126.43 -125.56 1047 2-Methyl-2-nitropropane -42.09 -41.68 -43.31 -41.75 -44.12 -35.67 -42.54 -42.73 -38.86 -37.44 -40.79 -43.03 -38.13 -42.98 -39.92 -42.48 -42.48 -42.52 -43.66 -43.31 -44.11 -43.82 -42.48 -41.59 -40.05 -40.32 -41.87 -42.54 -36.06 -35.68 1048 2-Methyl-5-(propan-2-yl)phenol -49.54 -50.51 -50.14 -47.78 -48.60 -41.68 -48.03 -47.77 -43.19 -44.64 -49.11 -48.98 -45.41 -49.54 -45.91 -49.39 -49.94 -50.16 -48.94 -49.43 -49.92 -50.74 -50.52 -50.32 -47.15 -47.48 -49.63 -50.03 -48.73 -50.54 1049 2-Methylaniline 12.72 11.74 12.37 13.73 13.94 15.58 11.06 11.45 15.37 12.87 10.82 8.74 12.37 9.60 12.65 11.09 11.65 11.61 12.04 11.66 12.13 11.47 11.26 11.42 11.39 11.90 10.94 10.80 13.54 13.14 1050 2-Methylbenzofuran -1.97 -9.14 -8.54 -5.44 -8.08 -3.98 -10.12 -10.06 -9.31 -7.17 -7.88 -13.21 -7.62 -12.46 -11.68 -12.22 -9.78 -9.79 -9.81 -10.34 -11.54 -10.68 -10.70 -9.23 -10.01 -7.79 -8.14 -8.17 -2.77 -1.40 1051 2-Methyl-1-benzothiophene 28.56 27.23 29.32 33.18 30.79 36.36 28.84 28.70 30.66 34.58 31.29 27.62 34.25 28.14 29.77 27.28 32.88 32.84 30.86 30.58 28.95 27.69 30.95 31.88 32.91 31.91 30.25 31.68 29.47 29.85 1052 2-Methylbutyraldehyde -56.21 -54.90 -55.19 -54.84 -54.77 -54.26 -52.93 -52.90 -52.54 -54.46 -54.80 -52.57 -54.50 -53.30 -53.07 -53.33 -55.08 -55.06 -55.32 -55.12 -54.91 -55.38 -55.32 -55.94 -54.46 -54.77 -54.91 -55.43 -51.68 -55.48 1053 2-Methylfuran -15.85 -18.64 -18.63 -17.65 -18.50 -18.04 -19.47 -19.54 -20.23 -19.23 -17.65 -21.65 -19.29 -20.63 -21.06 -19.83 -21.19 -21.12 -19.97 -20.18 -20.44 -19.47 -20.81 -19.91 -20.87 -18.71 -17.95 -18.05 -18.50 -16.35 1054 2-Methylpropanoic acid -115.70 -113.46 -114.12 -114.35 -115.21 -108.28 -109.27 -109.04 -106.64 -112.15 -112.73 -111.90 -112.64 -113.28 -111.47 -111.90 -117.56 -117.53 -115.28 -115.06 -114.95 -115.19 -116.21 -116.19 -114.59 -113.24 -113.50 -114.57 -110.76 -112.08 1055 2-Methylpropenal -27.01 -22.45 -22.36 -21.58 -21.90 -25.86 -21.12 -20.99 -22.35 -24.57 -23.32 -20.06 -24.30 -20.25 -21.41 -20.44 -22.19 -22.13 -22.13 -21.88 -21.37 -21.96 -22.49 -23.23 -23.15 -22.77 -22.16 -22.20 -21.03 -24.56 1056 2-Methylpropyl 2-methylpropanoate -128.70 -128.14 -129.22 -128.35 -129.82 -118.90 -122.57 -122.04 -120.62 -123.38 -126.35 -124.16 -124.38 -126.02 -124.82 -127.19 -131.58 -131.91 -129.66 -129.44 -130.48 -129.83 -130.46 -129.72 -127.54 -126.11 -127.54 -129.35 -124.79 -125.07 1057 2-Methylpyridine 23.68 22.87 23.28 25.05 24.42 24.70 23.04 23.38 23.44 22.61 22.28 21.03 22.38 21.53 21.68 21.44 23.20 23.23 22.72 22.57 22.44 22.36 22.45 22.72 21.62 22.57 22.44 22.44 23.35 21.90 1058 2-Methylquinoline 42.30 35.66 36.70 40.57 38.89 42.82 36.41 36.88 38.68 39.09 35.88 33.92 38.43 34.21 35.78 33.32 38.80 38.70 37.25 36.86 35.70 35.26 36.85 37.56 36.96 37.41 35.88 36.11 39.82 39.66 1059 2-Methyltetrahydrofuran -52.12 -52.64 -53.28 -53.32 -54.26 -47.67 -51.27 -51.24 -51.21 -50.64 -50.81 -53.51 -51.07 -54.17 -54.01 -54.13 -54.92 -54.87 -53.83 -53.90 -55.42 -54.33 -54.63 -53.54 -53.38 -51.68 -51.72 -52.54 -60.27 -57.68 1060 2-Methylthiacyclopentane -15.34 -16.41 -15.75 -15.61 -15.37 -8.74 -14.31 -14.55 -12.69 -10.55 -12.83 -14.88 -10.88 -15.84 -14.31 -16.02 -14.52 -14.50 -15.85 -15.62 -17.31 -17.60 -15.67 -14.99 -12.69 -13.02 -14.10 -13.75 -20.87 -17.53 1061 2-Nitropropane -33.22 -33.08 -34.69 -33.46 -35.59 -30.96 -35.93 -36.20 -33.12 -32.22 -33.83 -36.94 -32.62 -36.38 -33.95 -35.18 -34.51 -34.50 -36.21 -35.94 -36.18 -35.94 -34.42 -33.83 -33.76 -33.54 -34.27 -34.60 -28.80 -29.18 1062 2-Octanol -89.91 -90.08 -90.60 -91.19 -89.62 -84.09 -87.62 -87.49 -83.27 -86.34 -88.01 -88.41 -87.00 -89.13 -85.86 -87.19 -90.91 -91.06 -89.88 -89.57 -89.71 -89.43 -90.36 -90.31 -88.20 -88.69 -89.43 -90.81 -89.13 -90.34 1063 2-Octanone -76.86 -76.68 -77.12 -77.15 -76.61 -74.50 -75.95 -75.93 -73.45 -75.55 -76.43 -75.83 -75.88 -76.64 -74.77 -75.48 -77.18 -77.29 -78.97 -78.49 -78.26 -78.36 -78.01 -78.50 -76.73 -76.41 -76.77 -77.77 -77.87 -80.06 1064 2-Oxetanone -67.61 -67.26 -67.90 -67.23 -69.09 -64.38 -66.22 -66.38 -67.47 -67.48 -66.21 -69.27 -67.61 -69.97 -70.80 -69.81 -71.17 -71.08 -71.20 -71.10 -71.70 -71.02 -71.19 -70.66 -69.97 -67.05 -66.41 -67.40 -65.98 -60.78 1065 2-Pentanethiol -27.01 -29.56 -28.74 -29.21 -28.71 -26.12 -27.79 -27.86 -26.05 -26.26 -28.08 -27.09 -26.52 -27.52 -26.11 -27.50 -28.09 -28.13 -28.78 -28.39 -28.65 -28.76 -28.32 -28.43 -26.88 -27.73 -28.60 -28.61 -28.70 -27.70 1066 2-Pentanone -61.92 -61.38 -61.79 -61.92 -62.21 -62.53 -61.17 -61.16 -60.44 -62.86 -62.33 -61.22 -62.86 -61.70 -61.21 -60.80 -62.80 -62.77 -63.46 -63.18 -62.66 -62.90 -62.99 -63.43 -62.96 -62.44 -62.17 -62.55 -62.96 -64.83 1067 2-Phenylethanol -28.92 -30.26 -29.50 -28.00 -28.47 -25.32 -27.44 -27.11 -25.20 -27.95 -29.46 -28.90 -28.40 -29.57 -28.01 -29.18 -30.07 -30.12 -29.01 -29.26 -29.61 -30.19 -30.38 -30.36 -29.30 -28.88 -29.59 -29.82 -28.93 -29.38 1068 2-(Propan-2-yl)phenol -41.86 -42.30 -41.70 -39.73 -40.73 -34.39 -39.51 -39.21 -35.54 -37.26 -40.95 -40.48 -37.98 -41.14 -38.21 -41.07 -42.21 -42.38 -40.76 -41.13 -41.67 -42.23 -42.48 -42.15 -39.56 -39.63 -41.41 -41.84 -39.20 -40.94 1069 2-(Propan-2-ylsulfanyl)propane -34.02 -35.46 -34.94 -34.84 -34.54 -30.24 -33.19 -33.19 -31.12 -30.08 -33.57 -31.42 -30.44 -32.16 -30.52 -33.19 -33.35 -33.47 -33.51 -33.06 -33.76 -34.82 -33.45 -33.27 -30.60 -32.68 -34.42 -33.87 -35.91 -32.87 1070 2-Propanethiol -18.14 -19.52 -18.64 -19.27 -19.13 -19.08 -18.58 -18.67 -18.05 -18.65 -18.95 -18.19 -18.65 -18.20 -17.73 -17.93 -18.75 -18.69 -18.92 -18.73 -18.61 -18.67 -18.61 -18.79 -18.44 -18.93 -19.06 -18.80 -19.75 -18.71 1071 2-Propyn-1-ol 10.09 13.46 13.48 13.72 13.88 11.98 18.05 18.27 17.42 12.56 15.07 18.10 12.83 17.78 17.01 18.93 11.65 11.73 15.76 16.02 16.42 16.51 13.78 13.39 13.28 13.21 14.38 14.27 12.30 13.28 1072 (2S)-1-bromo-2-methylbutane -30.23 -31.68 -31.88 -33.02 -36.66 -30.97 -31.50 -31.51 -30.77 -30.57 -31.78 -30.55 -30.69 -30.81 -30.21 -31.16 -31.30 -31.34 -31.38 -31.55 -31.18 -30.93 -31.36 -31.75 -30.40 -31.89 -32.41 -32.90 -28.79 -29.47 1073 (2R)-2-butanol -69.47 -69.64 -70.08 -70.92 -70.37 -68.13 -68.00 -67.89 -65.96 -69.40 -69.28 -68.95 -69.62 -69.26 -67.80 -67.70 -71.78 -71.73 -69.24 -69.20 -68.89 -68.90 -70.33 -70.33 -69.82 -70.05 -69.97 -70.62 -69.45 -70.28 1074 (2R,3R)-2,3-butanediol -108.53 -107.55 -108.30 -109.13 -109.49 -99.00 -101.14 -100.72 -96.84 -103.98 -105.17 -104.08 -104.83 -105.87 -102.90 -103.80 -112.32 -112.31 -106.74 -106.48 -107.02 -106.76 -109.19 -108.53 -107.02 -105.92 -106.46 -107.95 -115.05 -114.14 1075 (2R,3S)-2,3-butanediol -114.64 -110.53 -111.32 -112.27 -112.73 -101.80 -104.29 -103.84 -100.05 -106.81 -108.35 -107.07 -107.69 -108.93 -106.01 -107.19 -115.58 -115.56 -109.85 -109.67 -110.11 -109.94 -112.36 -111.81 -110.04 -108.90 -109.60 -111.13 -111.36 -112.01 1076 (2S,5R)-2,5-dimethyltetrahydrofuran -61.91 -62.53 -63.29 -63.11 -63.55 -55.66 -60.38 -60.33 -59.33 -58.99 -59.91 -62.65 -59.59 -63.33 -62.44 -63.17 -64.03 -64.06 -63.39 -63.44 -65.21 -63.88 -64.33 -62.98 -62.37 -60.82 -61.23 -62.24 -68.99 -66.27 1077 2-(tert-butyldisulfanyl)-2-methylpropane -47.75 -51.88 -50.64 -49.23 -50.35 -33.80 -43.56 -43.28 -38.56 -35.51 -46.47 -39.73 -36.73 -42.66 -38.92 -47.35 -47.72 -48.12 -45.69 -45.68 -47.81 -50.55 -47.46 -46.38 -38.52 -42.56 -48.06 -47.17 -55.04 -47.50 1078 2-tert-butylphenol -47.62 -47.83 -47.26 -44.66 -45.91 -34.75 -42.04 -41.64 -37.14 -38.18 -44.39 -42.19 -39.25 -43.64 -40.02 -44.84 -46.32 -46.61 -44.33 -44.67 -45.91 -46.54 -46.90 -46.33 -41.66 -42.64 -45.62 -46.50 -44.03 -44.97 1079 2-(tert-butylsulfanyl)-2-methylpropane -45.05 -47.73 -47.35 -46.09 -46.26 -33.28 -40.25 -40.10 -36.19 -33.97 -42.56 -36.73 -34.94 -38.94 -35.82 -42.46 -43.31 -43.66 -42.34 -42.11 -43.82 -45.36 -43.82 -43.22 -36.34 -40.33 -44.57 -44.37 -53.44 -46.22 1080 2-Ethenylfuran 6.64 3.61 4.11 5.75 4.76 2.80 2.83 2.92 1.56 2.70 4.21 1.70 2.67 3.01 2.04 3.20 2.36 2.42 4.10 3.91 3.67 4.54 2.88 3.58 2.26 4.16 4.90 4.75 5.78 7.16 1081 (2Z)-2-butenenitrile 32.03 34.93 35.02 36.40 36.87 33.62 39.29 39.59 37.22 34.69 36.30 40.15 35.04 39.92 37.99 39.22 36.36 36.41 37.45 37.80 38.28 37.98 36.78 35.98 35.82 34.94 35.70 35.69 35.11 33.01 1082 3,3,3-Trifluoropropene -146.80 -149.72 -149.93 -149.57 -152.55 -152.06 -148.08 -148.11 -149.49 -151.47 -149.53 -148.42 -151.23 -148.27 -149.43 -147.93 -149.22 -149.16 -148.83 -148.93 -147.98 -148.48 -148.99 -149.57 -150.35 -150.32 -149.42 -149.29 -149.14 -147.34 1083 3,4-Dichlorobut-1-ene -15.39 -14.23 -12.91 -12.81 -15.08 -15.89 -11.99 -11.92 -13.22 -14.18 -13.19 -10.69 -14.00 -10.63 -11.66 -10.91 -11.48 -11.47 -11.80 -11.93 -11.12 -10.42 -11.70 -12.43 -12.83 -13.09 -12.54 -12.66 -12.69 -15.56 1084 3,4-Dichlorotoluene -0.07 -3.70 -2.10 0.33 -4.66 -1.61 -3.36 -3.41 -2.62 -1.50 -2.43 -3.47 -1.53 -2.78 -2.09 -2.81 -0.11 -0.16 -1.74 -2.05 -1.84 -1.86 -1.12 -1.32 -1.61 -1.92 -2.33 -1.84 -2.70 -4.20 1085 3,5-Dimethylaniline 5.26 4.58 4.96 6.76 7.03 8.96 3.57 3.92 8.66 6.07 3.61 1.09 5.54 2.06 5.74 3.84 4.90 4.78 4.58 4.14 4.58 3.89 3.98 4.28 4.39 4.85 3.66 3.63 -0.14 1.07 1086 3-Aminopropanol -52.82 -51.27 -51.57 -53.15 -52.04 -45.12 -47.35 -46.90 -42.92 -50.01 -50.42 -51.37 -50.64 -52.05 -49.01 -49.31 -55.05 -55.03 -51.09 -51.15 -50.72 -50.81 -52.65 -52.43 -52.20 -51.13 -51.31 -52.44 -54.07 -51.39 1087 3-Bromopentane -29.99 -33.70 -34.08 -35.33 -37.92 -33.16 -33.83 -33.83 -33.02 -32.68 -34.09 -32.72 -32.79 -32.98 -32.35 -33.42 -33.41 -33.41 -33.32 -33.46 -33.15 -33.17 -33.46 -33.57 -32.37 -34.07 -34.73 -34.83 -30.97 -30.75 1088 3-Bromopropene 11.30 10.34 10.65 9.91 4.07 4.70 9.51 9.57 7.77 6.93 8.71 10.70 7.31 11.28 9.85 11.22 10.82 10.87 11.24 10.99 11.89 12.14 10.81 10.13 9.17 8.85 9.75 9.95 9.93 9.21 1089 3-Chloro-1,2-propanediol -106.86 -106.20 -106.32 -107.65 -109.54 -98.38 -99.61 -99.17 -96.43 -103.80 -104.10 -103.13 -104.58 -105.18 -103.07 -103.30 -111.45 -111.43 -105.96 -105.83 -106.02 -105.34 -107.82 -107.59 -106.81 -104.80 -104.86 -106.54 -110.53 -109.75 1090 1-Chloro-2,3-dimethylbenzene -2.17 -5.19 -3.93 -1.55 -3.98 -2.54 -5.04 -5.02 -3.94 -2.33 -4.38 -4.37 -2.47 -4.02 -3.10 -4.68 -1.90 -1.98 -3.16 -3.55 -3.44 -3.96 -3.22 -3.42 -2.50 -3.49 -4.45 -4.00 -4.60 -6.06 1091 3-Chlorophenol -33.51 -30.79 -29.76 -28.54 -31.27 -28.48 -30.49 -30.31 -28.28 -30.82 -31.14 -32.63 -31.11 -32.51 -30.90 -31.14 -32.30 -32.27 -31.00 -31.50 -31.06 -31.22 -31.72 -31.79 -31.96 -30.44 -30.54 -30.82 -31.75 -31.93 1092 3-Chloropropanol -67.47 -66.43 -66.15 -67.36 -68.18 -65.54 -64.16 -64.03 -63.42 -67.31 -66.16 -65.77 -67.44 -66.44 -65.95 -65.08 -68.78 -68.74 -66.38 -66.58 -65.85 -65.44 -66.83 -67.24 -67.55 -66.96 -66.34 -67.16 -66.56 -67.39 1093 3-Chloropropene -0.15 -1.08 -0.19 -0.30 -0.78 -7.16 -1.45 -1.46 -3.53 -4.38 -1.88 -0.13 -3.88 0.68 -0.97 0.95 0.57 0.63 0.59 0.31 1.53 1.87 0.45 -0.37 -1.74 -2.01 -0.77 -0.57 -0.13 -1.75 1094 3-Chlorotoluene 4.35 2.51 3.82 5.78 3.65 1.84 1.53 1.52 1.77 2.46 2.38 1.60 2.55 2.44 2.70 2.64 5.27 5.27 3.69 3.27 3.72 3.47 3.92 3.57 3.05 2.77 2.77 3.23 3.30 3.00 1095 3-Ethylpentan-3-ol -83.36 -86.54 -87.14 -87.15 -86.69 -76.78 -81.14 -80.91 -76.93 -79.34 -83.38 -80.82 -80.17 -82.56 -79.44 -82.60 -87.26 -87.48 -84.62 -84.64 -85.12 -84.90 -86.34 -85.98 -81.97 -83.08 -84.98 -86.71 -84.30 -86.13 1096 3-Ethylpyridine 20.48 19.38 19.83 21.99 21.15 22.95 20.31 20.66 21.14 20.74 19.40 18.55 20.41 18.88 19.38 18.35 20.48 20.45 19.94 19.58 19.42 19.19 19.64 19.80 19.57 19.97 19.35 19.32 20.10 17.22 1097 3-Fluorohexane -88.09 -89.21 -89.73 -90.04 -90.03 -91.18 -90.59 -90.62 -89.95 -90.10 -89.85 -89.64 -90.09 -89.27 -88.76 -88.58 -88.57 -88.60 -89.55 -89.44 -88.98 -88.91 -88.95 -89.17 -89.39 -90.52 -90.38 -90.82 -84.70 -84.12 1098 3-Fluorotoluene -35.25 -35.63 -35.01 -33.36 -35.59 -38.76 -38.73 -38.70 -38.58 -38.01 -37.84 -38.57 -37.85 -37.67 -37.53 -37.38 -34.62 -34.58 -36.13 -36.59 -35.95 -36.76 -36.04 -36.42 -37.11 -36.93 -36.84 -36.29 -34.92 -34.65 1099 3-Heptanol -84.25 -84.82 -85.35 -85.96 -84.74 -79.58 -82.38 -82.25 -78.59 -81.64 -83.13 -83.08 -82.22 -83.82 -80.99 -82.17 -86.09 -86.21 -84.53 -84.32 -84.38 -84.14 -85.25 -85.17 -83.26 -83.71 -84.38 -85.66 -83.50 -84.99 1100 3-Heptanone -71.94 -69.80 -70.33 -70.05 -69.38 -68.43 -68.71 -68.66 -67.19 -69.06 -69.94 -68.41 -69.25 -69.16 -68.04 -68.75 -70.11 -70.21 -71.44 -71.26 -70.98 -71.24 -70.84 -71.37 -69.66 -69.75 -70.15 -70.82 -70.97 -73.89 1101 3-Hexanol -79.30 -79.66 -80.18 -80.85 -79.90 -75.53 -77.39 -77.26 -74.21 -77.36 -78.38 -78.13 -77.83 -78.78 -76.43 -77.24 -81.25 -81.31 -79.32 -79.17 -79.13 -78.94 -80.19 -80.09 -78.62 -79.01 -79.46 -80.55 -78.36 -79.70 1102 3-Hydroxypropanenitrile -23.49 -21.95 -22.28 -22.02 -21.80 -15.82 -13.08 -12.63 -13.11 -19.41 -18.57 -15.40 -19.63 -17.36 -17.77 -17.13 -24.21 -24.16 -20.40 -19.96 -20.18 -20.29 -21.92 -22.23 -21.33 -20.94 -20.54 -21.48 -21.66 -23.30 1103 3-Methoxypropanenitrile -18.88 -17.51 -18.16 -17.16 -18.08 -12.50 -9.44 -8.81 -11.75 -15.72 -14.97 -11.22 -16.04 -13.00 -15.22 -14.66 -20.71 -20.70 -16.49 -15.86 -16.75 -16.29 -17.73 -17.64 -17.87 -16.87 -16.52 -17.69 -19.21 -19.19 1104 3-Methylbutanol -72.22 -71.69 -72.01 -72.71 -71.81 -68.33 -69.20 -69.08 -66.74 -69.91 -70.68 -70.00 -70.26 -70.61 -68.80 -69.39 -73.21 -73.23 -70.89 -70.80 -70.70 -70.83 -71.93 -72.02 -70.67 -71.19 -71.53 -72.40 -70.90 -71.46 1105 3-Methylbutyl acetate -122.35 -121.53 -122.47 -122.04 -123.20 -115.18 -117.56 -117.12 -116.21 -119.23 -120.71 -119.38 -120.02 -120.97 -120.19 -121.37 -125.80 -125.95 -124.01 -123.45 -124.11 -123.59 -124.24 -123.84 -122.72 -120.76 -121.44 -123.26 -121.39 -120.03 1106 3-Methylpentanol -76.82 -76.13 -76.45 -77.07 -75.96 -71.11 -73.15 -73.02 -70.06 -72.98 -74.64 -73.68 -73.46 -74.58 -72.28 -73.58 -77.30 -77.38 -75.24 -75.11 -75.14 -75.24 -76.20 -76.31 -74.19 -74.87 -75.64 -76.80 -74.99 -75.86 1107 3-Methylbutan-2-ol -75.13 -75.74 -76.17 -76.77 -76.13 -71.12 -72.65 -72.49 -69.74 -72.84 -74.26 -73.16 -73.31 -73.94 -71.82 -72.91 -77.35 -77.36 -74.65 -74.52 -74.57 -74.59 -76.01 -75.92 -74.09 -74.69 -75.33 -76.41 -74.43 -75.22 1108 3-Methylaniline 13.05 12.38 12.93 14.27 14.66 15.30 11.18 11.55 15.41 12.65 11.06 8.65 12.22 9.65 12.64 11.43 12.21 12.17 12.22 11.79 12.36 11.76 11.57 11.78 11.35 12.07 11.32 11.29 10.68 11.16 1109 3-Methylbutanoic acid -122.45 -119.37 -119.99 -120.26 -120.79 -112.75 -114.99 -114.76 -111.46 -116.93 -118.31 -117.50 -117.58 -119.03 -116.54 -117.61 -123.29 -123.32 -121.34 -121.03 -121.02 -121.24 -122.16 -122.19 -119.89 -118.57 -119.20 -120.60 -117.03 -117.76 1110 3-Methylfuran -16.06 -16.16 -16.11 -15.01 -15.81 -15.40 -16.85 -16.92 -17.69 -16.51 -15.08 -18.92 -16.55 -17.93 -18.42 -17.31 -18.49 -18.42 -17.23 -17.48 -17.74 -16.93 -18.10 -17.29 -18.04 -15.99 -15.31 -15.37 -17.66 -14.66 1111 3-Methylpyridine 25.40 24.50 24.99 26.94 26.05 26.49 24.76 25.09 25.10 24.52 24.06 22.84 24.30 23.37 23.48 23.16 25.02 25.05 24.75 24.46 24.42 24.22 24.43 24.61 23.68 24.45 24.26 24.29 24.39 22.06 1112 3-Methylthiophene 19.94 16.57 18.44 20.05 19.25 20.78 17.79 17.48 18.18 20.84 20.74 17.13 20.89 18.06 18.62 18.57 20.07 20.11 19.17 19.17 18.65 18.19 19.39 19.93 20.37 19.65 19.58 20.45 20.50 19.82 1113 3-Pentanol -75.59 -74.66 -75.15 -75.87 -75.18 -71.65 -72.59 -72.46 -69.97 -73.25 -73.78 -73.41 -73.61 -73.94 -72.02 -72.43 -76.58 -76.59 -74.28 -74.16 -74.02 -73.90 -75.28 -75.19 -74.16 -74.47 -74.69 -75.57 -73.41 -74.70 1114 3-Phenypropanol -37.28 -34.90 -34.17 -32.63 -32.84 -28.96 -31.97 -31.65 -29.17 -31.79 -33.79 -33.36 -32.34 -34.12 -32.11 -33.67 -34.42 -34.54 -33.73 -33.95 -34.39 -34.92 -34.95 -34.96 -33.46 -33.13 -34.08 -34.48 -33.62 -34.29 1115 Acetol -87.48 -84.37 -84.92 -85.36 -86.20 -82.36 -80.98 -80.71 -79.50 -85.44 -85.00 -82.98 -85.72 -84.54 -83.69 -83.33 -89.03 -88.96 -86.38 -86.26 -85.99 -86.36 -87.34 -87.57 -86.83 -84.87 -84.65 -85.51 -89.85 -91.43 1116 (3R)-1,3-butanediol -106.87 -105.17 -105.82 -106.96 -106.98 -98.21 -99.78 -99.38 -95.91 -102.88 -103.60 -102.77 -103.60 -104.39 -101.72 -102.27 -109.99 -109.97 -104.85 -104.75 -104.95 -104.95 -106.97 -106.69 -105.40 -104.25 -104.57 -106.00 -110.46 -110.00 1117 4-Chloroaniline 13.70 12.28 13.35 14.49 12.79 15.45 11.67 12.03 15.41 12.53 11.42 8.70 12.13 9.68 12.31 11.47 12.08 12.06 12.09 11.51 12.37 12.20 11.97 12.01 11.02 12.33 11.86 11.59 11.18 11.36 1118 1-Chloro-3,4-dimethylbenzene -2.77 -5.59 -4.37 -2.09 -4.37 -4.03 -6.03 -6.04 -4.83 -3.72 -5.24 -5.67 -3.80 -5.04 -4.04 -5.21 -2.45 -2.53 -4.05 -4.46 -4.20 -4.63 -3.87 -4.19 -3.71 -4.42 -5.12 -4.77 -5.08 -5.84 1119 4-Chlorophenol -30.62 -30.27 -29.19 -28.11 -30.85 -28.00 -29.95 -29.76 -27.78 -30.35 -30.65 -32.10 -30.63 -31.99 -30.41 -30.63 -31.79 -31.76 -30.54 -31.04 -30.58 -30.76 -31.21 -31.30 -31.50 -29.93 -30.02 -30.30 -30.75 -31.38 1120 4-Chlorotoluene 6.43 2.70 4.01 5.97 3.82 2.03 1.73 1.71 1.95 2.65 2.59 1.78 2.74 2.63 2.88 2.84 5.47 5.47 3.86 3.46 3.92 3.66 4.13 3.77 3.23 2.98 3.00 3.45 3.75 3.31 1121 4-Fluorotoluene -35.25 -35.20 -34.56 -32.91 -35.27 -38.33 -38.28 -38.25 -38.14 -37.53 -37.35 -38.09 -37.36 -37.17 -37.04 -36.89 -34.11 -34.08 -35.60 -36.08 -35.43 -36.24 -35.51 -35.89 -36.59 -36.45 -36.36 -35.79 -33.84 -34.09 1122 4-Methylaniline 13.22 12.94 13.53 14.90 14.49 15.85 11.77 12.13 15.95 13.30 11.75 9.28 12.89 10.32 13.29 12.11 12.92 12.89 12.99 12.52 13.12 12.50 12.34 12.53 12.09 12.70 11.97 11.99 12.47 12.32 1123 4-Methylpentan-2-one -68.45 -67.46 -67.93 -67.52 -67.33 -65.43 -65.49 -65.42 -63.93 -66.02 -67.28 -65.04 -66.26 -65.87 -64.77 -65.76 -67.76 -67.81 -68.37 -68.16 -68.02 -68.34 -68.30 -68.69 -66.75 -66.92 -67.51 -68.23 -69.25 -70.46 1124 4-Methylpentanenitrile -3.91 -3.68 -3.87 -2.96 -1.78 1.78 2.97 3.19 3.13 0.79 0.07 3.17 0.63 1.98 1.91 1.33 -2.05 -2.09 -1.62 -1.07 -1.31 -1.43 -1.97 -2.59 -0.45 -1.92 -2.24 -3.10 -0.07 -1.97 1125 4-Methylphenol -29.96 -30.06 -29.51 -28.14 -29.54 -28.10 -30.36 -30.16 -27.74 -30.10 -30.85 -32.03 -30.39 -31.85 -29.94 -30.49 -31.44 -31.43 -30.15 -30.54 -30.33 -30.95 -31.32 -31.26 -30.97 -30.06 -30.40 -30.41 -30.17 -31.26 1126 4-Methylpyridine 24.87 24.00 24.44 26.31 25.61 25.95 24.23 24.56 24.57 23.90 23.43 22.26 23.67 22.74 22.86 22.52 24.41 24.43 24.04 23.78 23.69 23.48 23.72 23.89 22.99 23.85 23.66 23.66 23.02 21.29 1127 4-Nitroaniline 14.22 13.57 12.63 15.17 11.80 19.55 8.00 8.35 15.31 14.02 9.86 3.77 12.89 4.90 10.37 7.19 9.89 9.79 8.50 8.49 8.23 8.02 9.85 11.00 10.12 12.89 10.94 10.27 12.07 12.95 1128 Quinolin-8-ol 5.14 -0.61 0.23 3.54 0.57 9.80 0.91 1.61 5.08 3.32 -0.58 -3.54 2.27 -3.75 -0.88 -3.85 -1.46 -1.54 0.21 -0.52 -1.58 -1.94 -1.29 -0.27 -0.52 1.45 -0.39 -0.67 4.47 2.73 1129 Acetaldehyde -40.09 -39.59 -39.80 -39.72 -40.15 -43.32 -38.85 -38.87 -40.21 -42.72 -40.88 -38.97 -42.38 -39.12 -40.26 -38.84 -40.67 -40.59 -40.19 -40.21 -39.59 -39.94 -40.55 -41.11 -41.46 -41.18 -40.31 -40.24 -38.19 -41.13 1130 Acetaldoxime -5.39 -5.03 -5.31 -5.43 -5.49 -5.21 -4.37 -4.18 -2.99 -6.19 -5.43 -5.52 -6.31 -5.33 -4.46 -3.87 -7.00 -6.97 -4.97 -4.92 -4.69 -4.69 -6.10 -5.92 -6.55 -4.64 -4.29 -4.51 -7.36 -11.92 1131 Acetic anhydride -137.06 -136.83 -138.00 -137.18 -140.21 -132.66 -132.22 -131.75 -132.05 -137.79 -137.40 -135.59 -138.35 -137.64 -137.90 -137.60 -144.08 -144.07 -141.70 -141.03 -141.43 -141.12 -142.05 -141.71 -141.37 -137.53 -137.35 -138.81 -138.75 -140.28 1132 Acetophenone -20.72 -20.97 -20.25 -18.13 -19.44 -19.50 -19.89 -19.58 -19.54 -20.84 -22.04 -19.95 -21.08 -20.77 -20.69 -21.59 -20.32 -20.34 -21.74 -21.52 -21.86 -22.74 -21.90 -22.25 -21.54 -20.69 -21.23 -21.35 -17.80 -19.70 1133 Acridine 64.77 62.37 64.20 70.03 67.27 73.28 63.49 64.13 66.70 68.66 63.23 60.90 67.73 61.20 63.46 59.29 68.73 68.55 66.81 66.01 64.04 63.23 66.13 67.09 66.41 65.90 63.30 63.78 70.91 71.70 1134 Acrylamide -31.12 -30.43 -31.36 -30.85 -30.94 -29.44 -28.38 -27.82 -26.01 -32.44 -32.03 -31.16 -32.76 -31.17 -29.90 -29.57 -33.27 -33.24 -32.20 -32.00 -30.99 -31.28 -32.71 -32.87 -33.75 -31.45 -31.25 -32.17 -28.10 -30.23 1135 Adenine 49.16 55.49 54.13 56.73 53.69 81.49 60.90 62.30 70.26 63.36 58.17 45.43 60.91 45.83 52.18 48.20 47.35 47.19 50.29 49.72 48.50 50.83 49.94 53.53 50.95 58.59 56.15 52.97 67.70 64.64 1136 Allylamine 13.91 13.71 14.03 13.41 15.02 12.99 14.86 15.14 16.54 12.62 13.47 13.75 12.62 14.54 15.53 16.19 13.76 13.82 15.29 15.05 16.09 15.86 14.14 13.88 13.23 13.44 13.84 13.76 12.14 12.30 1137 Anethole -9.92 -9.92 -9.24 -6.35 -8.58 -8.82 -10.65 -10.12 -10.34 -9.77 -11.57 -10.47 -10.22 -10.24 -10.27 -11.66 -10.84 -10.97 -9.01 -8.99 -9.38 -9.85 -9.81 -9.73 -10.27 -9.20 -10.06 -10.37 -12.33 -12.92 1138 Anisole -16.23 -17.48 -17.04 -15.44 -16.90 -17.23 -18.05 -17.61 -18.82 -18.86 -19.27 -19.01 -19.17 -18.99 -19.76 -20.06 -20.27 -20.25 -18.01 -18.16 -18.53 -18.61 -19.01 -18.68 -19.73 -18.14 -18.31 -18.59 -16.93 -17.07 1139 9,10-Dihydroanthracene-9,10-dione -22.75 -20.78 -19.24 -13.39 -18.87 -5.98 -15.41 -14.62 -12.37 -13.07 -20.16 -17.44 -14.35 -20.55 -18.58 -24.02 -17.38 -17.63 -21.57 -21.29 -24.74 -26.28 -22.05 -21.33 -18.46 -16.11 -19.51 -19.86 -10.91 -13.20 1140 Benzaldehyde -8.79 -10.09 -9.25 -7.14 -8.57 -10.58 -9.41 -9.13 -10.02 -11.32 -11.56 -9.51 -11.38 -10.02 -10.69 -10.85 -9.27 -9.23 -10.36 -10.26 -10.51 -11.38 -10.68 -11.16 -11.10 -10.43 -10.52 -10.52 -2.96 -6.12 1141 Benzamide -24.12 -24.02 -23.63 -22.00 -23.40 -17.84 -21.95 -21.25 -18.09 -23.13 -25.34 -25.60 -23.91 -26.17 -23.72 -25.39 -25.86 -25.91 -26.07 -26.00 -25.91 -26.67 -26.54 -26.42 -26.27 -23.95 -24.97 -25.84 -18.50 -20.37 1142 Benzenethiol 26.65 23.94 26.01 27.35 26.13 25.71 24.60 24.67 25.04 25.34 24.36 24.41 25.24 24.65 24.98 24.26 26.28 26.31 25.02 25.05 24.68 24.13 25.27 25.16 25.00 25.42 24.96 25.51 24.06 23.10 1143 Benzonitrile 51.92 50.23 51.00 54.13 53.07 53.01 55.32 55.77 53.78 52.01 52.04 55.03 52.03 54.36 52.86 52.90 52.95 52.99 52.77 53.00 52.56 51.86 51.98 51.43 51.63 51.02 51.04 51.13 55.27 53.53 1144 Benzoyl chloride -24.67 -26.59 -25.32 -23.25 -26.36 -27.37 -27.31 -27.00 -27.24 -27.53 -28.23 -26.84 -27.64 -26.98 -27.12 -27.65 -25.53 -25.54 -26.77 -26.95 -26.77 -27.19 -26.90 -27.37 -27.18 -26.86 -27.13 -27.10 -21.43 -22.77 1145 1-Chloro-2-(2-chloroethoxy)ethane -73.16 -71.24 -70.78 -71.52 -74.95 -69.88 -68.19 -67.81 -70.05 -72.32 -70.80 -69.89 -72.69 -70.96 -72.55 -71.43 -74.43 -74.49 -72.04 -72.02 -71.85 -70.12 -71.55 -71.68 -73.61 -71.49 -70.63 -72.28 -70.99 -70.58 1146 Borane carbonyl -26.58 -23.97 -25.36 -24.78 -24.35 -33.14 -32.42 -32.64 -33.98 -29.79 -29.74 -29.05 -29.59 -28.60 -29.67 -29.62 -28.37 -28.33 -27.58 -27.79 -28.27 -28.34 -29.21 -28.96 -28.46 -28.02 -28.00 -27.51 -29.56 -42.37 1147 Bromochlorofluoromethane -54.92 -54.98 -54.61 -55.62 -62.15 -60.01 -56.99 -57.10 -57.91 -58.56 -56.43 -56.89 -58.23 -56.13 -56.82 -55.21 -55.64 -55.62 -55.56 -55.76 -54.86 -54.11 -55.15 -55.73 -57.03 -56.81 -55.72 -55.73 -49.08 -52.89 1148 Bromochloromethane -10.21 -11.16 -10.45 -11.70 -17.49 -15.72 -12.11 -12.21 -13.67 -14.54 -12.23 -12.19 -14.17 -11.69 -12.84 -11.09 -11.73 -11.71 -11.36 -11.59 -10.62 -9.74 -10.95 -11.62 -13.00 -12.90 -11.71 -11.83 -4.77 -7.92 1149 Bromomethane -8.75 -8.46 -8.41 -9.52 -14.95 -13.89 -9.84 -9.95 -11.79 -12.51 -10.32 -9.78 -12.06 -9.27 -10.70 -9.03 -9.54 -9.50 -8.80 -9.18 -8.23 -7.71 -8.92 -9.49 -10.66 -11.05 -9.94 -9.78 -5.65 -7.46 1150 Butanamide -66.94 -65.05 -65.86 -66.51 -66.21 -61.63 -63.99 -63.57 -59.90 -65.94 -66.53 -67.61 -66.48 -67.85 -65.10 -65.55 -69.03 -69.03 -68.46 -68.33 -67.38 -67.51 -68.29 -68.27 -68.42 -66.52 -66.78 -67.94 -63.68 -65.89 1151 Butane-1,2-diol -106.55 -103.00 -103.59 -104.69 -104.79 -95.89 -97.69 -97.33 -93.74 -100.59 -101.41 -100.62 -101.30 -102.31 -99.56 -100.19 -108.03 -108.02 -102.67 -102.58 -102.82 -102.78 -104.87 -104.54 -103.07 -101.94 -102.31 -103.73 -110.10 -110.59 1152 Butanoic acid -113.72 -112.30 -112.93 -113.48 -114.01 -108.65 -109.34 -109.16 -106.76 -112.43 -112.30 -112.19 -112.84 -113.39 -111.60 -111.50 -116.94 -116.90 -115.04 -114.77 -114.37 -114.58 -115.54 -115.69 -114.61 -112.89 -112.80 -113.85 -110.49 -111.98 1153 1-Ethoxybutane -69.89 -69.39 -70.13 -70.42 -70.43 -69.51 -69.38 -69.13 -69.46 -70.61 -70.02 -70.17 -70.93 -70.18 -70.35 -69.92 -72.43 -72.48 -70.28 -69.98 -70.16 -69.48 -70.51 -70.20 -71.25 -70.62 -70.33 -71.25 -68.56 -68.97 1154 Butyl formate -102.08 -103.15 -103.85 -103.71 -104.90 -100.52 -100.39 -100.00 -100.77 -103.55 -103.37 -102.22 -103.99 -103.35 -103.91 -103.78 -107.80 -107.80 -105.47 -105.01 -105.30 -105.02 -105.67 -105.64 -105.62 -103.78 -103.67 -104.97 -101.57 -101.68 1155 1-(Ethenyl)oxybutane -43.74 -43.27 -43.47 -43.39 -43.11 -44.57 -43.20 -42.86 -43.60 -44.70 -44.19 -43.09 -44.92 -42.89 -43.42 -43.04 -46.21 -46.23 -43.69 -43.45 -43.22 -42.86 -44.26 -44.32 -44.97 -43.84 -43.57 -44.41 -46.05 -45.82 1156 Butyronitrile 8.02 7.97 7.76 8.42 9.27 9.46 13.12 13.30 11.75 9.11 10.35 12.91 9.30 12.19 10.96 11.91 8.66 8.72 9.44 9.87 10.04 9.93 9.15 8.51 8.99 7.96 8.56 8.30 10.76 8.44 1157 Camphor -63.93 -64.94 -65.49 -61.99 -63.50 -36.59 -52.68 -53.03 -47.36 -43.55 -53.47 -54.74 -44.99 -58.27 -53.74 -61.43 -59.05 -59.38 -61.34 -62.16 -66.94 -66.50 -64.60 -62.66 -52.15 -52.73 -57.45 -59.26 -59.85 -58.03 1158 Caprolactam -58.44 -56.98 -57.80 -57.41 -57.64 -45.54 -54.06 -53.60 -48.66 -52.49 -56.37 -58.35 -53.60 -59.79 -55.92 -58.91 -60.79 -60.87 -61.39 -61.24 -61.98 -61.52 -60.60 -59.93 -58.34 -55.12 -56.92 -58.91 -62.84 -60.99 1159 2-Chloroacetyl chloride -58.70 -59.02 -58.12 -58.41 -61.63 -62.42 -59.16 -59.18 -59.78 -61.79 -59.83 -59.12 -61.56 -59.18 -59.73 -58.25 -59.98 -59.93 -60.00 -60.17 -58.99 -58.24 -59.39 -60.24 -60.77 -60.07 -59.02 -59.58 -58.16 -57.80 1160 Chlorocyclohexane -39.12 -40.11 -39.71 -39.78 -40.01 -33.30 -38.19 -38.38 -36.03 -35.10 -37.09 -38.82 -35.47 -39.69 -37.80 -39.34 -38.13 -38.16 -40.04 -40.23 -41.05 -40.24 -39.52 -39.30 -37.33 -37.60 -38.44 -39.26 -40.82 -40.38 1161 Chlorodifluoromethane -115.20 -115.30 -115.08 -115.43 -118.84 -120.33 -116.61 -116.83 -118.20 -119.00 -116.54 -116.94 -118.56 -116.26 -117.39 -115.52 -115.59 -115.55 -115.30 -115.83 -114.33 -114.27 -114.81 -115.71 -116.96 -117.33 -116.12 -115.92 -114.85 -111.24 1162 Chloroethane -26.81 -26.86 -26.43 -27.15 -27.81 -32.57 -28.47 -28.62 -30.15 -30.62 -28.20 -28.05 -30.15 -27.26 -28.45 -26.59 -26.67 -26.59 -26.55 -26.93 -25.63 -25.22 -26.22 -26.85 -28.37 -29.08 -27.87 -27.63 -23.87 -25.53 1163 Chlorofluoromethane -63.10 -63.25 -62.85 -63.34 -65.52 -69.52 -64.72 -64.87 -67.10 -67.56 -64.95 -64.38 -67.00 -63.73 -65.49 -63.50 -63.36 -63.32 -62.87 -63.44 -61.99 -61.83 -62.48 -63.38 -64.99 -65.52 -64.23 -63.99 -60.81 -58.01 1164 Chloromethylbenzene 4.48 5.15 6.64 8.36 6.47 3.94 4.75 4.89 4.23 4.58 4.50 5.15 4.65 5.59 5.18 5.11 8.07 8.08 6.61 6.04 6.48 6.44 6.47 6.01 5.52 5.23 5.24 5.58 9.46 6.62 1165 Chlorotrimethylsilane -84.32 -83.91 -83.61 -83.53 -85.44 -83.33 -85.07 -84.97 -82.95 -83.04 -84.51 -84.45 -82.97 -84.18 -82.71 -83.83 -83.05 -83.07 -84.64 -85.20 -84.83 -87.10 -84.93 -85.03 -82.95 -84.02 -84.86 -83.97 -78.96 -78.61 1166 (1Z)-1,2-dichloroethene 1.00 -1.65 -0.08 -0.17 -2.47 -6.97 -2.28 -2.46 -3.79 -4.39 -1.53 -1.62 -3.87 -0.39 -1.50 0.67 -0.35 -0.31 -0.22 -0.36 1.08 1.88 0.55 -0.33 -2.15 -1.78 -0.34 -0.39 0.91 0.25 1167 (1Z)-1,2-difluoroethene -77.01 -73.90 -73.74 -74.02 -75.53 -82.08 -76.35 -76.43 -78.57 -79.01 -76.67 -75.02 -78.30 -74.06 -75.80 -74.00 -73.73 -73.67 -73.63 -74.29 -72.47 -73.37 -73.46 -74.59 -75.94 -75.93 -74.84 -74.18 -76.63 -73.58 1168 (2Z)-but-2-ene-1,4-diol -70.79 -69.29 -69.34 -70.21 -70.03 -65.59 -64.57 -64.15 -61.93 -69.01 -68.69 -66.80 -69.46 -68.20 -66.56 -66.31 -73.50 -73.48 -68.61 -68.47 -68.34 -68.65 -70.80 -70.92 -70.31 -68.47 -68.32 -69.35 -82.30 -81.63 1169 Cyanoacetylene 90.82 89.03 88.92 91.25 90.81 86.14 95.41 95.83 91.98 89.13 92.03 97.56 89.77 97.72 94.61 96.82 91.23 91.27 94.42 94.81 95.26 95.49 92.79 91.98 91.39 88.62 89.99 90.04 90.74 89.91 1170 Cyclobutanenitrile 35.23 37.03 36.89 38.17 38.90 42.82 42.09 41.91 40.89 41.20 41.83 40.79 41.25 39.82 39.00 39.49 38.21 38.28 36.80 37.28 36.65 37.12 37.15 37.21 39.21 39.18 39.51 38.84 27.48 28.79 1171 Cyclohexanethiol -22.99 -24.53 -23.62 -23.61 -23.16 -13.27 -20.52 -20.69 -16.99 -16.36 -20.16 -21.43 -17.03 -22.98 -20.04 -22.95 -22.37 -22.43 -24.41 -24.10 -25.93 -25.49 -23.83 -23.28 -20.13 -19.85 -21.62 -22.28 -25.91 -22.96 1172 Cyclohexanol -68.40 -69.20 -69.50 -69.82 -69.12 -58.65 -65.15 -65.14 -60.71 -63.14 -65.66 -67.59 -63.91 -69.20 -65.72 -67.65 -70.44 -70.45 -69.54 -69.44 -70.87 -70.41 -70.39 -69.70 -67.05 -66.23 -67.35 -68.72 -71.46 -70.23 1173 Cyclohexanone -54.04 -54.29 -54.59 -54.17 -53.92 -47.89 -52.01 -52.07 -49.67 -50.99 -52.67 -53.45 -51.40 -55.05 -53.17 -54.45 -54.82 -54.79 -56.93 -56.67 -57.77 -57.74 -56.33 -56.22 -54.01 -52.53 -53.27 -54.19 -59.83 -59.54 1174 Cyclohexylamine -25.07 -24.50 -24.55 -25.00 -23.17 -12.15 -20.71 -20.60 -14.71 -17.20 -20.62 -23.90 -18.10 -24.79 -20.21 -22.84 -24.05 -24.11 -24.39 -24.35 -25.50 -24.99 -24.91 -24.10 -21.57 -21.11 -22.67 -24.06 -22.33 -20.45 1175 Cyclopentanol -57.98 -56.53 -56.82 -57.56 -56.81 -49.33 -54.24 -54.36 -51.15 -52.94 -53.74 -56.91 -53.40 -57.92 -55.39 -55.99 -57.96 -57.91 -57.41 -57.56 -58.60 -58.12 -58.40 -57.71 -55.87 -54.83 -55.16 -55.98 -64.00 -62.70 1176 Cyclopropanecarbonitrile 43.57 44.47 44.19 45.59 46.10 47.20 48.21 47.92 45.91 46.15 47.97 46.75 46.39 46.28 44.68 46.08 42.29 42.37 43.23 44.33 43.99 44.55 44.37 44.33 45.00 45.14 46.02 45.57 43.14 44.07 1177 Cyclopropylamine 18.45 18.53 18.33 17.94 19.39 21.13 17.76 17.43 19.86 18.65 19.68 14.20 18.53 15.07 16.88 17.68 14.64 14.71 15.86 16.38 16.85 17.52 16.75 17.40 17.10 18.34 18.84 18.40 17.09 20.26 1178 Decanol -95.24 -95.80 -96.22 failed -94.52 -88.72 -93.71 -93.61 -88.63 -91.35 -93.46 -94.53 -92.11 -95.44 -91.55 -93.24 -96.26 -96.49 -96.18 -95.75 -95.86 -95.68 -95.94 -96.22 -93.52 -94.03 -94.97 -96.67 -94.98 -96.60 1179 Decane-1-thiol -50.41 -52.44 -51.63 failed -50.04 -45.41 -50.98 -51.07 -46.71 -46.68 -49.48 -50.45 -47.35 -51.17 -47.74 -49.97 -49.96 -50.25 -53.04 -52.35 -52.75 -52.24 -51.19 -51.59 -48.80 -49.39 -50.64 -51.94 -50.22 -51.34 1180 4-hydroxy-4-methylpentan-2-one -110.68 -109.66 -110.56 -110.06 -111.07 -99.98 -102.65 -102.23 -98.56 -104.22 -107.43 -103.83 -105.14 -106.25 -103.46 -105.95 -112.44 -112.54 -110.04 -109.85 -110.42 -110.51 -111.60 -111.33 -107.82 -106.77 -108.28 -110.01 -116.81 -116.23 1181 Dibromomethane -3.54 0.88 1.10 -0.65 -8.61 -2.78 -0.08 -0.10 -1.32 -2.24 -0.60 -0.37 -2.00 -0.14 -1.09 0.16 -0.60 -0.59 -0.14 -0.23 0.37 1.12 0.10 -0.40 -1.32 -1.14 -0.28 -0.39 2.80 0.79 1182 Dibutylamine -37.43 -36.86 -37.32 -37.91 -35.67 -31.98 -36.64 -36.38 -32.43 -34.40 -36.00 -38.26 -35.07 -37.90 -34.80 -36.07 -37.37 -37.54 -37.47 -37.16 -36.88 -36.42 -36.91 -36.86 -36.27 -36.41 -37.11 -38.46 -34.89 -36.06 1183 1-Butoxybutane -79.68 -79.09 -79.85 -80.14 -79.61 -77.11 -78.83 -78.57 -77.78 -78.73 -79.02 -79.53 -79.25 -79.78 -79.07 -79.33 -81.71 -81.84 -80.28 -79.83 -80.19 -79.42 -80.12 -79.84 -80.09 -79.54 -79.64 -80.97 -78.59 -79.12 1184 1-(Butylsulfanyl)butane -39.89 -41.20 -40.62 -40.94 -39.65 -37.13 -40.70 -40.76 -38.29 -37.35 -39.47 -39.64 -37.69 -40.16 -38.18 -39.81 -39.54 -39.69 -41.18 -40.56 -40.95 -41.43 -39.83 -40.01 -38.04 -39.31 -40.31 -40.32 -38.53 -38.45 1185 Dichloroacetic acid -104.21 -105.17 -104.84 -104.88 -109.38 -100.46 -100.20 -100.00 -98.33 -104.23 -103.72 -103.12 -104.64 -104.54 -103.32 -102.93 -108.64 -108.59 -106.37 -106.09 -105.93 -105.24 -106.84 -106.97 -106.38 -104.07 -103.75 -104.94 -101.94 -103.65 1186 Dichlorofluoromethane -67.71 -68.49 -67.65 -68.05 -72.06 -73.78 -69.98 -70.18 -71.21 -71.93 -69.16 -69.84 -71.51 -68.95 -69.81 -67.71 -68.15 -68.11 -68.20 -68.50 -67.25 -66.40 -67.59 -68.34 -69.96 -69.87 -68.46 -68.51 -67.11 -65.29 1187 Dichloromethylbenzene 3.11 0.11 1.87 4.15 -0.03 1.81 1.58 1.74 1.66 2.15 1.04 2.17 2.06 2.33 2.35 1.49 4.27 4.23 2.85 2.27 2.39 2.61 2.59 2.31 2.43 2.00 1.52 1.88 3.92 0.63 1188 Diethylamine -17.20 -17.08 -17.50 -18.14 -16.96 -16.54 -17.47 -17.23 -15.56 -17.95 -17.71 -19.31 -18.19 -18.45 -17.15 -16.97 -18.58 -18.57 -17.20 -17.16 -16.54 -16.26 -17.38 -17.25 -18.36 -18.30 -18.17 -18.69 -15.06 -15.80 1189 Diethyl carbonate -152.61 -151.60 -153.10 -152.77 -155.75 -144.75 -146.32 -145.56 -147.20 -151.94 -151.79 -151.09 -152.93 -153.32 -154.40 -154.29 -161.35 -161.39 -155.98 -155.24 -156.33 -155.20 -156.77 -155.68 -156.84 -152.23 -152.14 -154.33 -144.01 -141.17 1190 2-(2-Hydroxyethoxy)ethan-1-ol -130.59 -128.35 -129.29 -130.46 -131.97 -118.96 -120.34 -119.52 -118.07 -126.81 -127.00 -125.52 -127.91 -128.24 -127.01 -127.17 -137.50 -137.51 -129.11 -128.73 -129.79 -129.21 -131.63 -130.77 -131.10 -127.49 -127.58 -129.87 -133.66 -132.65 1191 1-Methoxy-2-(2-methoxyethoxy)ethane -122.13 -120.19 -121.78 -121.54 -125.09 -113.48 -114.20 -113.03 -116.59 -120.64 -120.73 -118.40 -121.92 -120.74 -123.18 -123.29 -131.55 -131.65 -122.34 -121.59 -123.79 -122.15 -124.14 -122.59 -125.34 -120.31 -120.36 -123.23 -128.22 -124.59 1192 2-(2-ethoxyethoxy)ethan-1-ol -135.04 -132.35 -133.68 -134.20 -136.55 -123.64 -125.51 -124.50 -124.87 -131.38 -131.65 -130.28 -132.69 -132.76 -132.85 -133.09 -142.35 -142.46 -134.14 -133.47 -135.18 -133.80 -136.11 -134.76 -136.30 -131.90 -132.02 -134.76 -137.46 -135.64 1193 2-(2-methoxyethoxy)ethan-1-ol -126.67 -124.27 -125.53 -126.00 -128.53 -116.22 -117.28 -116.28 -117.33 -123.72 -123.87 -121.97 -124.92 -124.49 -125.10 -125.23 -134.53 -134.59 -125.73 -125.17 -126.79 -125.68 -127.89 -126.68 -128.22 -123.90 -123.97 -126.55 -130.94 -128.64 1194 bis(2-aminoethyl)amine -1.40 1.08 0.71 -1.11 1.18 15.36 6.92 7.92 15.65 5.93 3.10 -0.57 4.45 -0.93 5.03 2.85 -3.15 -3.29 0.80 0.85 1.26 1.70 -0.46 0.44 0.32 2.80 1.49 -0.77 0.15 1.99 1195 1,3-Diethyl propanedioate -186.66 -192.73 -194.61 -193.42 -197.88 -181.72 -184.92 -183.92 -184.39 -190.83 -192.22 -190.00 -192.24 -193.37 -193.62 -194.72 -203.06 -203.23 -198.85 -197.83 -199.60 -198.35 -199.49 -198.15 -197.98 -192.06 -192.72 -195.48 -193.21 -191.29 1196 Diethyl oxalate -178.59 -178.41 -180.13 -179.14 -183.46 -170.05 -172.18 -171.25 -172.41 -177.96 -178.59 -176.60 -179.16 -179.55 -180.32 -180.83 -188.84 -188.94 -184.37 -183.13 -184.91 -183.76 -185.00 -183.80 -184.07 -178.59 -178.88 -181.34 -169.35 -171.63 1197 Diethyl sulfate -180.76 -177.73 -179.16 -178.63 -181.32 -156.55 -165.96 -164.78 -166.42 -168.87 -173.01 -174.41 -170.56 -176.61 -177.46 -180.62 -183.93 -184.08 -179.11 -178.62 -181.50 -181.21 -181.40 -179.44 -177.97 -174.68 -176.67 -178.70 -176.94 -176.29 1198 (Ethylsulfanyl)ethane -19.97 -20.82 -20.11 -20.53 -20.26 -21.31 -21.15 -21.23 -20.99 -20.57 -20.71 -20.34 -20.49 -20.39 -20.17 -20.24 -20.46 -20.44 -20.64 -20.21 -20.28 -20.88 -19.97 -20.04 -19.83 -20.69 -20.78 -20.08 -18.51 -18.34 1199 Diethyl sulfite -131.91 -128.77 -129.42 -130.00 -131.47 -120.87 -124.97 -123.82 -125.39 -125.97 -129.02 -127.12 -127.08 -127.99 -128.98 -131.34 -135.10 -135.20 -129.79 -129.53 -131.80 -131.07 -132.98 -131.58 -131.07 -128.53 -130.02 -131.16 -140.52 -134.80 1200 Difluoro(methoxy)methane -153.63 -153.16 -153.93 -154.08 -157.31 -153.09 -150.88 -150.65 -153.13 -155.31 -153.98 -153.14 -155.42 -153.74 -155.61 -154.58 -157.52 -157.47 -153.47 -153.62 -153.35 -153.53 -154.14 -154.19 -155.63 -154.72 -154.11 -154.65 -155.18 -148.11 1201 Difluoro(methoxy)trifluoroethane -314.53 -313.66 -314.75 -314.41 -321.14 -306.31 -307.47 -307.43 -308.17 -312.39 -311.63 -312.94 -312.93 -314.66 -315.17 -314.59 -318.95 -318.90 -314.50 -314.75 -314.34 -314.60 -315.02 -314.95 -314.90 -313.37 -313.04 -314.18 -318.46 -313.13 1202 3-Methyl-1-(3-methylbutoxy)butane -89.44 -92.07 -92.79 failed -91.82 -84.14 -88.89 -88.55 -85.98 -86.54 -89.81 -88.82 -87.53 -89.83 -87.72 -90.32 -93.16 -93.47 -91.73 -91.19 -92.25 -91.50 -92.13 -91.66 -89.39 -89.63 -91.15 -93.25 -90.45 -90.12 1203 Diketene -45.46 -45.80 -46.09 -44.59 -46.76 -43.98 -45.15 -45.30 -45.88 -46.27 -44.63 -47.79 -46.36 -47.94 -48.44 -47.18 -49.26 -49.18 -49.60 -49.52 -49.82 -48.87 -49.84 -49.21 -48.61 -44.91 -44.12 -45.09 -44.64 -39.09 1204 Dimethoxymethane -83.25 -83.42 -84.59 -84.49 -86.90 -81.75 -80.16 -79.49 -83.03 -85.12 -84.60 -82.34 -85.62 -83.45 -86.00 -85.60 -91.17 -91.13 -83.99 -83.88 -84.78 -84.05 -85.80 -85.00 -86.84 -84.44 -84.21 -85.50 -91.73 -87.48 1205 Dimethyl carbonate -136.26 -135.72 -137.08 -136.66 -139.88 -129.96 -129.98 -129.24 -132.18 -136.69 -136.30 -134.54 -137.46 -136.90 -138.96 -138.65 -145.88 -145.86 -139.30 -138.76 -139.69 -139.01 -140.50 -139.65 -140.77 -136.42 -136.23 -138.12 -128.97 -125.51 1206 Dimethylchlorosilane -69.93 -66.92 -66.40 -66.84 -68.86 -68.40 -68.71 -68.70 -68.60 -67.85 -68.00 -68.33 -67.69 -67.91 -67.86 -67.97 -66.41 -66.37 -68.26 -68.54 -68.44 -69.56 -67.92 -68.06 -67.44 -67.99 -68.11 -67.58 -66.53 -64.37 1207 Dimethyldichlorosilane -107.15 -112.74 -111.75 -111.63 -115.98 -109.65 -111.20 -111.01 -109.84 -110.99 -112.01 -111.96 -111.02 -112.23 -111.41 -112.19 -111.66 -111.66 -113.16 -113.67 -113.21 -115.44 -113.21 -113.45 -111.65 -112.28 -112.87 -112.65 -106.19 -103.44 1208 (Methyldisulfanyl)methane -5.78 -8.04 -6.15 -6.67 -7.46 -7.91 -8.14 -8.08 -8.27 -7.73 -8.38 -7.27 -7.73 -7.79 -7.94 -8.42 -8.86 -8.86 -7.82 -7.69 -7.90 -9.02 -7.47 -7.24 -7.09 -6.92 -7.32 -6.72 -5.51 -6.60 1209 Dimethylethanolamine -48.28 -45.98 -46.72 -47.25 -47.40 -39.08 -42.00 -41.37 -39.38 -43.75 -45.41 -45.23 -44.61 -45.87 -44.24 -45.52 -50.71 -50.74 -45.62 -45.50 -45.83 -45.51 -47.09 -46.55 -46.57 -45.22 -45.98 -47.64 -50.40 -50.54 1210 Dimethyl maleate -148.37 -151.54 -153.01 -150.96 -155.76 -143.29 -143.65 -142.51 -144.81 -150.36 -151.84 -146.90 -151.52 -150.00 -151.70 -152.85 -160.77 -160.88 -155.64 -154.66 -156.32 -155.72 -156.98 -156.02 -155.85 -150.30 -151.02 -153.32 -150.95 -150.28 1211 Dimethylsilane -22.63 -21.23 -21.31 -21.84 -21.97 -26.50 -25.96 -26.16 -26.90 -23.97 -23.72 -24.31 -23.64 -23.15 -23.71 -23.48 -20.59 -20.52 -22.84 -22.80 -23.35 -23.50 -22.47 -22.36 -22.55 -23.28 -23.17 -22.09 -26.41 -22.24 1212 Dimethyl sulfate -164.20 -160.71 -161.87 -161.48 -164.20 -140.90 -148.78 -147.63 -150.47 -152.74 -156.35 -157.02 -154.22 -159.35 -161.09 -163.82 -167.59 -167.65 -161.65 -161.12 -163.92 -164.02 -164.18 -162.41 -161.05 -157.88 -159.61 -161.48 -163.40 -161.51 1213 Dimethyl sulfite -115.75 -112.90 -113.32 -113.92 -115.45 -106.13 -108.48 -107.38 -110.20 -110.94 -112.98 -110.78 -111.82 -111.74 -113.66 -115.20 -119.78 -119.81 -113.28 -112.82 -115.20 -114.82 -116.79 -115.42 -115.32 -112.80 -113.80 -114.81 -124.44 -119.73 1214 1-(propylsulfanyl)propane -29.95 -30.98 -30.34 -30.74 -29.97 -29.16 -30.87 -30.94 -29.62 -28.91 -30.06 -29.92 -29.03 -30.23 -29.14 -30.01 -29.95 -30.00 -30.86 -30.35 -30.57 -31.13 -29.85 -29.98 -28.88 -29.98 -30.54 -30.16 -28.61 -28.37 1215 1-(Pentyloxy)pentane -89.39 -89.33 -90.11 failed -89.27 -85.14 -88.74 -88.47 -86.49 -87.23 -88.45 -89.32 -87.98 -89.79 -88.14 -89.15 -91.37 -91.60 -90.68 -90.10 -90.62 -89.76 -90.17 -89.93 -89.32 -88.89 -89.42 -91.16 -88.69 -89.30 1216 Phenoxybenzene 12.43 10.68 12.08 16.01 13.09 15.60 10.82 11.49 11.81 12.44 9.25 9.47 11.73 9.32 9.82 7.34 10.09 9.92 10.56 9.81 8.82 8.46 8.95 9.55 9.85 12.18 10.64 10.67 15.30 13.19 1217 Diphenylmethanone 13.58 10.32 12.00 16.89 14.02 17.43 13.30 13.90 14.49 14.73 10.13 13.52 14.06 12.10 12.73 9.18 14.21 13.98 11.45 11.29 9.87 8.39 10.52 10.35 12.71 13.29 11.08 11.27 18.61 15.34 1218 Dipropylamine -27.73 -26.85 -27.27 -27.94 -26.22 -24.15 -26.95 -26.71 -23.90 -26.09 -26.76 -28.69 -26.55 -28.11 -25.91 -26.45 -27.95 -28.03 -27.29 -27.12 -26.65 -26.28 -27.08 -26.99 -27.25 -27.27 -27.55 -28.48 -25.05 -26.13 1219 1-Propoxypropane -70.00 -69.18 -69.91 -70.28 -70.26 -69.34 -69.23 -68.97 -69.31 -70.49 -69.87 -70.04 -70.80 -70.08 -70.25 -69.79 -72.38 -72.43 -70.19 -69.90 -70.05 -69.37 -70.39 -70.07 -71.14 -70.48 -70.17 -71.09 -68.88 -69.29 1220 Dodecanol -105.07 -105.98 -106.40 failed -104.10 -96.67 -103.54 -103.43 -97.28 -99.78 -102.83 -104.23 -100.76 -105.37 -100.56 -102.99 -105.84 -106.18 -106.51 -105.94 -106.24 -105.96 -105.93 -106.24 -102.67 -103.31 -104.68 -106.78 -104.99 -106.80 1221 Dodecane-1-thiol -60.52 -62.63 -61.81 failed -59.62 -53.37 -60.81 -60.89 -55.36 -55.11 -58.86 -60.16 -56.01 -61.11 -56.76 -59.73 -59.54 -59.94 -63.37 -62.55 -63.14 -62.52 -61.18 -61.61 -57.96 -58.67 -60.36 -62.06 -60.23 -61.54 1222 Dodecanenitrile -31.91 -32.74 -33.04 failed -29.13 -22.48 -26.31 -26.10 -22.98 -24.75 -27.24 -26.06 -25.43 -27.66 -25.22 -27.24 -29.75 -30.07 -31.95 -30.98 -31.52 -31.28 -30.84 -31.66 -27.75 -29.27 -30.38 -32.28 -29.14 -32.21 1223 (1E)-1,3-dichloropropene -6.87 -8.07 -6.64 -6.78 -8.85 -13.76 -8.88 -8.95 -10.54 -11.26 -8.54 -7.97 -10.80 -7.02 -8.31 -6.25 -6.57 -6.53 -6.86 -7.28 -5.63 -4.78 -6.13 -7.19 -8.93 -8.62 -7.21 -7.42 -8.41 -9.19 1224 (1E)-1-fluoropropene -44.01 -40.58 -40.47 -40.59 -40.97 -48.37 -43.24 -43.34 -44.87 -45.28 -42.91 -41.92 -44.65 -40.70 -41.96 -40.14 -40.33 -40.25 -40.26 -40.61 -39.07 -39.65 -40.20 -41.07 -42.43 -42.72 -41.61 -40.97 -42.07 -41.14 1225 Epichlorohydrin -25.76 -26.47 -26.41 -26.33 -28.62 -25.37 -26.13 -26.54 -28.88 -26.67 -25.09 -27.72 -26.64 -28.18 -29.93 -28.71 -30.91 -30.83 -29.06 -28.60 -28.87 -27.57 -27.94 -27.56 -27.57 -26.01 -25.19 -25.87 -22.74 -26.01 1226 Ethanethiol -11.09 -12.26 -11.29 -12.14 -12.08 -14.13 -12.26 -12.38 -12.58 -13.42 -12.52 -12.17 -13.24 -11.94 -12.11 -11.40 -12.13 -12.07 -12.26 -12.17 -11.77 -11.57 -11.81 -12.07 -12.65 -12.68 -12.24 -11.95 -10.81 -11.54 1227 Ethyl 3-oxobutanoate -138.98 -139.30 -140.54 -139.80 -142.47 -133.54 -134.64 -134.03 -133.79 -139.01 -139.94 -137.31 -139.84 -139.80 -139.62 -140.36 -146.09 -146.17 -144.41 -143.66 -144.39 -144.05 -144.46 -144.08 -143.27 -139.27 -139.70 -141.59 -145.47 -144.09 1228 Ethyl 4-chlorobutanoate -122.80 -121.71 -122.15 -122.24 -125.00 -116.74 -117.87 -117.41 -117.68 -121.22 -121.31 -120.36 -121.92 -122.17 -122.29 -122.39 -126.71 -126.83 -125.12 -124.73 -124.92 -123.78 -124.62 -124.46 -124.62 -121.63 -121.59 -123.47 -120.17 -120.33 1229 Ethyl acetate -106.19 -105.25 -106.20 -106.05 -107.76 -103.92 -102.96 -102.57 -103.66 -107.07 -106.18 -105.22 -107.43 -106.23 -107.02 -106.33 -110.75 -110.73 -108.22 -107.85 -107.95 -107.49 -108.54 -108.17 -109.10 -106.67 -106.24 -107.26 -104.54 -104.42 1230 Ethyl acrylate -81.50 -79.74 -80.26 -79.52 -81.29 -78.64 -76.15 -75.58 -77.59 -81.05 -80.26 -77.41 -81.41 -78.49 -80.02 -79.42 -83.75 -83.77 -81.23 -80.70 -81.02 -80.60 -81.99 -81.77 -82.62 -79.96 -79.58 -80.66 -77.01 -77.65 1231 Ethylamine -11.30 -11.29 -11.46 -12.56 -11.29 -11.63 -11.13 -10.97 -9.15 -12.81 -11.97 -13.16 -12.83 -12.36 -11.01 -10.35 -12.44 -12.37 -10.74 -11.01 -10.00 -10.12 -11.53 -11.53 -12.50 -12.80 -12.41 -12.45 -8.40 -9.00 1232 Ethyl benzoate -77.92 -74.69 -74.57 -72.21 -75.23 -68.72 -71.37 -70.66 -71.29 -73.49 -75.14 -73.66 -74.32 -75.20 -75.53 -76.80 -77.88 -78.01 -76.79 -76.38 -77.62 -77.53 -77.49 -76.84 -76.96 -74.10 -74.87 -75.87 -68.02 -68.56 1233 Ethyl butanoate -116.04 -115.25 -116.28 -116.16 -117.46 -111.76 -112.72 -112.32 -112.32 -115.49 -115.56 -114.88 -116.07 -116.17 -116.11 -116.18 -120.50 -120.56 -118.61 -118.07 -118.43 -117.86 -118.60 -118.18 -118.33 -115.95 -115.96 -117.31 -113.79 -114.14 1234 1,3-Dioxolan-2-one -121.33 -121.36 -122.47 -121.85 -125.18 -112.09 -116.18 -115.81 -117.49 -120.27 -120.09 -122.35 -121.08 -124.85 -125.94 -125.77 -130.32 -130.24 -126.15 -126.00 -127.86 -126.82 -127.06 -125.93 -125.90 -120.35 -120.22 -122.16 -123.36 -118.03 1235 2-Propoxyethanol -100.62 -98.83 -99.67 -100.43 -101.19 -94.22 -94.85 -94.31 -93.76 -98.72 -98.50 -97.85 -99.42 -99.22 -98.70 -98.54 -105.00 -105.03 -99.72 -99.38 -99.98 -99.36 -101.08 -100.49 -101.19 -99.05 -98.94 -100.55 -101.45 -101.07 1236 Ethyl formate -92.81 -93.42 -94.13 -93.95 -95.65 -92.77 -90.82 -90.45 -92.33 -95.31 -94.27 -92.73 -95.54 -93.65 -95.09 -94.28 -98.44 -98.38 -95.40 -95.10 -95.22 -95.00 -96.01 -95.91 -96.67 -94.76 -94.26 -95.15 -91.68 -91.64 1237 Ethyl lactate -151.77 -147.25 -148.58 -148.76 -151.24 -138.61 -140.92 -140.20 -138.99 -145.53 -146.54 -144.95 -146.60 -147.46 -146.47 -147.25 -155.44 -155.52 -150.33 -149.77 -150.76 -150.10 -151.87 -150.95 -150.46 -146.72 -147.19 -149.08 -146.86 -146.85 1238 Ethylmethylamine -10.80 -10.27 -10.66 -11.29 -10.37 -10.70 -10.72 -10.48 -9.47 -11.86 -11.27 -12.55 -11.98 -11.65 -10.85 -10.40 -12.06 -12.01 -10.22 -10.32 -9.58 -9.43 -10.59 -10.48 -11.87 -11.79 -11.51 -11.83 -9.09 -10.02 1239 (Methylsulfanyl)ethane -14.24 -15.54 -14.75 -15.17 -15.06 -17.10 -16.00 -16.09 -16.38 -16.17 -15.74 -15.32 -16.00 -15.24 -15.45 -15.09 -15.51 -15.48 -15.39 -15.10 -15.01 -15.44 -14.89 -15.01 -15.17 -15.74 -15.55 -14.93 -11.86 -12.85 1240 Ethyl propanoate -110.80 -110.34 -111.35 -111.25 -112.79 -107.86 -107.90 -107.50 -108.09 -111.36 -110.97 -110.10 -111.84 -111.30 -111.70 -111.40 -115.86 -115.88 -113.58 -113.10 -113.35 -112.82 -113.73 -113.29 -113.84 -111.43 -111.22 -112.38 -108.42 -108.87 1241 Ethoxyethene -33.65 -31.56 -31.78 -31.64 -32.53 -35.75 -32.00 -31.69 -33.58 -35.19 -33.28 -32.18 -35.14 -31.48 -32.94 -31.48 -34.50 -34.45 -31.60 -31.58 -31.21 -30.79 -32.62 -32.58 -34.50 -33.07 -32.17 -32.52 -32.82 -33.13 1242 Fluoroethane -63.19 -64.63 -64.92 -65.34 -66.03 -71.23 -66.65 -66.75 -68.71 -69.05 -66.90 -65.97 -68.49 -65.19 -66.73 -65.07 -64.64 -64.55 -64.27 -64.67 -63.50 -64.01 -64.14 -64.76 -66.40 -67.55 -66.55 -65.89 -61.94 -59.26 1243 Fluoromethane -56.00 -56.23 -56.44 -56.60 -57.60 -62.42 -57.11 -57.23 -59.92 -60.11 -58.20 -56.31 -59.44 -55.73 -57.82 -56.34 -55.87 -55.81 -54.77 -55.42 -54.21 -54.97 -55.04 -55.75 -57.07 -58.61 -57.75 -56.85 -53.57 -49.38 1244 Formamide -45.94 -44.58 -45.14 -45.66 -46.02 -44.08 -43.46 -43.07 -41.24 -47.22 -46.62 -46.98 -47.42 -46.74 -45.47 -44.99 -48.24 -48.20 -46.56 -46.82 -45.60 -45.88 -47.14 -47.24 -48.22 -46.69 -46.42 -47.07 -40.64 -44.10 1245 Furan-2,5-dione -95.20 -95.80 -96.24 -94.71 -98.07 -88.85 -90.73 -90.47 -91.36 -94.65 -94.20 -94.93 -95.17 -97.11 -97.79 -97.42 -100.45 -100.37 -99.62 -99.24 -100.67 -100.39 -100.39 -100.02 -98.74 -94.17 -93.91 -95.44 -84.36 -82.43 1246 Furfural -36.09 -37.35 -37.46 -35.71 -38.29 -36.31 -37.19 -37.03 -38.41 -38.58 -37.49 -39.52 -38.78 -39.42 -40.42 -39.57 -41.08 -41.01 -39.62 -39.70 -40.28 -39.56 -40.49 -39.83 -40.38 -37.48 -36.94 -37.60 -32.91 -33.10 1247 Glutamic acid -196.94 -192.38 -193.66 -194.68 -196.50 -171.22 -181.42 -180.36 -171.51 -185.06 -189.79 -190.04 -187.14 -194.15 -187.39 -191.04 -202.88 -203.04 -197.79 -197.54 -198.00 -198.17 -200.05 -199.42 -194.96 -188.96 -191.16 -194.56 -188.73 -188.00 1248 Glycoladehyde -73.78 -72.44 -72.76 -73.19 -74.10 -70.68 -67.94 -67.70 -67.53 -73.62 -72.55 -70.13 -73.76 -71.75 -71.71 -70.87 -76.46 -76.38 -73.41 -73.27 -73.14 -73.55 -74.65 -75.00 -74.51 -72.74 -72.23 -72.98 -73.57 -76.88 1249 Halothane -165.00 -168.17 -168.42 -168.77 -178.28 -164.89 -164.96 -165.04 -164.84 -166.81 -166.31 -166.67 -167.01 -167.44 -167.30 -166.90 -168.98 -168.94 -168.10 -167.81 -167.97 -167.37 -167.86 -167.74 -167.78 -167.49 -167.21 -167.72 -164.29 -164.75 1250 Heptan-1-ol -80.45 -80.54 -80.92 -81.81 -80.14 -76.79 -78.96 -78.87 -75.65 -78.70 -79.41 -79.96 -79.14 -80.53 -78.02 -78.60 -81.89 -81.98 -80.69 -80.47 -80.29 -80.27 -80.96 -81.20 -79.79 -80.12 -80.41 -81.50 -79.98 -81.30 1251 Heptan-4-one -71.96 -71.43 -71.90 -72.07 -71.32 -70.27 -70.89 -70.87 -69.08 -71.18 -71.67 -70.79 -71.40 -71.60 -70.26 -70.66 -72.55 -72.61 -73.83 -73.40 -73.13 -73.25 -73.05 -73.43 -72.09 -71.68 -71.87 -72.57 -71.39 -74.15 1252 Heptane-1-thiol -35.73 -37.17 -36.31 -37.07 -35.65 -33.48 -36.23 -36.33 -33.73 -34.02 -35.42 -35.88 -34.37 -36.26 -34.21 -35.32 -35.60 -35.74 -37.55 -37.06 -37.17 -36.82 -36.20 -36.55 -35.06 -35.46 -36.07 -36.76 -35.22 -36.03 1253 Heptanoic acid -128.16 -122.93 -123.51 -124.03 -123.55 -116.12 -119.70 -119.52 -115.33 -120.39 -121.80 -122.10 -121.10 -123.65 -120.46 -121.56 -126.58 -126.69 -125.70 -125.31 -125.18 -125.34 -125.79 -126.13 -123.46 -122.03 -122.64 -124.34 -118.79 -119.96 1254 Hexanol -75.53 -75.46 -75.82 -76.74 -75.35 -72.81 -74.05 -73.96 -71.33 -74.48 -74.72 -75.11 -74.81 -75.57 -73.52 -73.72 -77.09 -77.13 -75.52 -75.37 -75.10 -75.13 -75.97 -76.19 -75.21 -75.48 -75.56 -76.44 -74.98 -76.19 1255 Hexane-2-thiol -32.96 -34.35 -33.54 -33.99 -33.16 -29.84 -32.38 -32.44 -30.08 -30.21 -32.41 -31.62 -30.57 -32.17 -30.32 -32.03 -32.53 -32.65 -33.64 -33.26 -33.55 -33.53 -33.00 -33.18 -31.19 -32.10 -33.13 -33.49 -33.58 -32.68 1256 Hexanenitrile -2.21 -2.19 -2.42 -1.74 -0.35 1.42 3.21 3.40 3.00 0.59 0.90 3.11 0.56 2.18 1.85 2.07 -1.01 -1.03 -0.95 -0.38 -0.36 -0.41 -0.85 -1.57 -0.25 -1.40 -1.22 -1.89 0.84 -1.58 1257 Hexanoic acid -122.35 -122.48 -123.13 -123.63 -123.63 -116.65 -119.21 -119.02 -115.45 -120.91 -121.71 -121.95 -121.54 -123.36 -120.66 -121.29 -126.54 -126.59 -125.39 -124.99 -124.77 -124.89 -125.55 -125.74 -123.81 -122.21 -122.55 -124.01 -120.41 -122.12 1258 Imidazole 31.76 31.23 31.15 31.85 31.46 38.69 32.96 33.28 34.96 33.15 33.38 26.85 32.56 28.08 29.47 29.67 28.06 28.10 29.88 29.57 29.77 30.93 29.50 30.78 29.16 32.04 32.19 31.31 34.03 33.22 1259 Indole 37.41 37.44 38.28 41.05 39.85 44.05 36.14 36.32 39.21 39.95 38.45 31.77 39.40 33.28 35.66 34.53 37.81 37.81 37.41 36.65 36.41 36.83 37.01 38.21 37.02 38.58 37.88 37.92 40.97 42.65 1260 Isobutanal -51.59 -50.89 -51.16 -51.03 -51.16 -51.66 -49.40 -49.38 -49.54 -51.70 -51.22 -49.26 -51.63 -49.81 -50.00 -49.63 -51.67 -51.60 -51.54 -51.33 -51.04 -51.45 -51.67 -52.17 -51.41 -51.45 -51.20 -51.48 -47.59 -51.13 1261 Isobutyl acetate -118.24 -117.24 -118.18 -117.80 -119.27 -112.10 -113.51 -113.07 -112.72 -115.93 -116.80 -115.50 -116.62 -116.90 -116.56 -117.26 -121.88 -121.99 -119.68 -119.24 -119.78 -119.22 -120.11 -119.60 -119.07 -117.03 -117.43 -118.96 -116.36 -115.22 1262 Isobutyl formate -104.28 -100.97 -101.71 -101.28 -102.68 -97.65 -98.10 -97.71 -97.91 -100.46 -101.24 -99.55 -100.96 -100.63 -100.77 -101.40 -105.22 -105.25 -102.79 -102.57 -102.89 -102.73 -103.43 -103.41 -102.60 -101.07 -101.44 -102.79 -96.53 -95.51 1263 2-Methylpropane-1-thiol -23.16 -23.71 -22.78 -23.36 -23.06 -21.43 -22.03 -22.11 -20.94 -21.41 -22.49 -21.51 -21.56 -21.85 -20.94 -21.76 -22.64 -22.63 -23.04 -22.70 -22.83 -22.78 -22.63 -22.78 -21.76 -22.35 -22.85 -22.92 -21.13 -21.11 1264 Isopropylamine -20.03 -19.41 -19.59 -20.59 -19.12 -17.79 -18.58 -18.39 -15.63 -19.25 -19.32 -20.42 -19.46 -19.77 -17.69 -17.73 -20.15 -20.09 -18.62 -18.77 -17.96 -18.08 -19.44 -19.42 -19.59 -20.05 -20.07 -20.42 -18.32 -17.59 1265 Methoxyisopropane -60.23 -59.64 -60.36 -60.46 -61.10 -60.24 -58.79 -58.52 -59.74 -60.96 -60.48 -59.27 -61.16 -59.37 -60.25 -59.88 -62.86 -62.82 -59.62 -59.52 -59.67 -59.22 -60.54 -60.17 -61.19 -60.76 -60.53 -61.19 -60.95 -60.18 1266 Propan-2-yl nitrate -45.65 -45.15 -47.25 -45.98 -49.82 -44.21 -51.50 -51.76 -48.20 -45.91 -47.86 -52.58 -46.58 -51.92 -49.05 -50.56 -50.09 -50.14 -51.03 -50.63 -51.61 -50.69 -49.44 -48.09 -48.37 -46.46 -47.38 -48.05 -53.20 -47.36 1267 Isoquinoline 49.81 46.75 48.00 51.74 49.94 52.91 47.72 48.22 48.98 49.44 46.78 45.27 48.89 45.52 46.30 44.29 49.57 49.54 48.67 48.20 47.17 46.54 48.14 48.56 47.80 48.36 47.12 47.30 50.06 48.59 1268 Isothiocyanic acid 30.50 29.25 29.98 31.01 29.61 27.51 29.72 30.01 30.23 27.71 28.98 28.66 27.90 30.07 30.13 31.08 28.46 28.45 30.84 30.29 31.59 32.47 30.39 30.24 28.82 28.19 28.79 28.41 36.17 31.97 1269 Isoxazole 19.20 19.21 19.09 19.90 18.86 22.12 19.36 19.35 18.26 20.10 20.99 16.92 19.88 17.53 16.81 17.51 17.38 17.44 18.04 17.98 17.01 18.03 17.22 18.24 17.70 20.16 20.62 20.31 23.33 22.70 1270 Leucine -116.35 -117.50 -118.39 -118.84 -118.94 -101.13 -109.87 -109.14 -101.93 -109.42 -114.71 -114.30 -110.97 -116.63 -111.07 -115.17 -122.04 -122.26 -118.70 -118.86 -119.18 -119.30 -120.71 -120.28 -115.87 -113.81 -116.29 -118.69 -111.16 -110.65 1271 Lysine -110.18 -106.20 -107.01 -108.57 -107.70 -85.84 -97.58 -96.52 -86.58 -97.78 -103.11 -105.18 -99.78 -107.65 -100.00 -104.12 -112.48 -112.75 -108.64 -108.70 -108.82 -108.77 -110.62 -109.92 -106.24 -102.45 -104.93 -107.95 -102.53 -100.91 1272 4-Methylpent-3-en-2-one -46.75 -42.25 -42.38 -41.78 -41.61 -45.27 -43.21 -43.04 -42.45 -44.42 -44.39 -41.99 -44.42 -42.08 -41.72 -41.71 -42.73 -42.75 -43.68 -43.25 -42.64 -43.20 -43.38 -43.93 -43.73 -43.19 -43.18 -43.43 -51.26 -50.35 1273 Methacyrlic acid -87.95 -85.69 -85.93 -85.62 -86.64 -82.87 -81.58 -81.23 -79.98 -85.66 -85.46 -83.41 -86.00 -84.54 -83.67 -83.49 -89.11 -89.07 -86.58 -86.16 -85.92 -86.33 -87.75 -87.92 -87.11 -85.24 -85.13 -85.96 -82.72 -84.38 1274 Methionine -98.83 -100.22 -100.16 -101.04 -101.93 -83.13 -92.40 -91.61 -84.97 -92.46 -97.42 -97.38 -94.05 -100.35 -95.19 -99.01 -105.65 -105.85 -102.69 -102.42 -103.26 -103.65 -103.78 -103.17 -99.48 -95.97 -98.31 -100.16 -96.36 -95.12 1275 Methyl benzoate -68.81 -66.78 -66.61 -64.22 -67.37 -61.56 -63.40 -62.70 -63.99 -66.07 -67.49 -65.58 -66.79 -67.17 -67.99 -69.06 -70.27 -70.33 -68.59 -68.20 -69.38 -69.52 -69.44 -68.91 -69.12 -66.33 -67.00 -67.87 -60.74 -60.72 1276 Methyl butanoate -107.72 -107.46 -108.43 -108.27 -109.72 -104.60 -104.79 -104.39 -105.04 -108.09 -108.01 -106.83 -108.56 -108.17 -108.61 -108.54 -112.98 -112.99 -110.47 -110.01 -110.28 -109.95 -110.65 -110.36 -110.51 -108.25 -108.19 -109.40 -106.57 -106.45 1277 Chloro(methyl)silane -51.39 -50.12 -49.38 -50.17 -52.49 -52.95 -51.93 -52.01 -53.82 -52.20 -51.43 -51.76 -51.98 -51.25 -52.61 -52.01 -49.72 -49.67 -51.63 -51.76 -52.00 -52.00 -50.89 -51.05 -51.59 -51.72 -51.32 -51.14 -50.60 -47.97 1278 Methyl decanoate -137.40 -138.00 -139.05 failed -138.55 -128.50 -134.31 -133.89 -131.02 -133.43 -136.16 -136.01 -134.55 -138.01 -135.68 -137.85 -141.74 -142.04 -141.47 -140.61 -141.45 -140.83 -140.64 -140.45 -138.02 -136.12 -137.35 -139.79 -136.48 -137.01 1279 Dichloro(methyl)silane -96.08 -94.53 -93.23 -93.73 -98.07 -93.50 -93.54 -93.44 -94.26 -94.54 -94.19 -94.53 -94.48 -94.62 -95.28 -95.02 -93.87 -93.84 -95.44 -95.72 -95.50 -96.55 -94.87 -95.20 -94.86 -94.95 -94.79 -95.04 -91.22 -86.66 1280 2-[(2-hydroxyethyl)(methyl)amino]ethan-1-ol -90.84 -86.36 -87.28 -88.11 -88.54 -72.22 -77.86 -76.90 -72.85 -80.76 -83.93 -83.00 -82.27 -85.30 -82.06 -84.54 -93.29 -93.45 -86.02 -85.73 -86.75 -86.22 -88.45 -87.48 -86.28 -83.57 -85.06 -87.80 -95.99 -91.97 1281 Methyl dodecanoate -147.56 -148.18 -149.22 failed -148.12 -136.45 -144.14 -143.71 -139.67 -141.86 -145.53 -145.72 -143.20 -147.95 -144.69 -147.61 -151.32 -151.72 -151.80 -150.81 -151.83 -151.10 -150.63 -150.47 -147.17 -145.40 -147.06 -149.90 -146.48 -147.21 1282 Methyl hexanoate -117.64 -117.65 -118.63 -118.42 -119.34 -112.59 -114.65 -114.24 -113.72 -116.56 -117.42 -116.59 -117.25 -118.14 -117.65 -118.34 -122.58 -122.69 -120.82 -120.23 -120.69 -120.27 -120.66 -120.41 -119.71 -117.56 -117.93 -119.55 -116.49 -116.59 1283 Methylperoxol -31.31 -29.75 -30.42 -30.95 -32.51 -32.68 -29.75 -29.60 -30.75 -32.62 -31.76 -29.06 -32.62 -30.19 -31.00 -30.32 -33.80 -33.74 -29.48 -29.72 -30.30 -30.51 -32.06 -31.89 -31.90 -30.47 -30.10 -30.11 -23.79 -28.93 1284 (Methylsulfanyl)isopropane -21.41 -22.83 -22.11 -22.35 -22.19 -21.70 -22.15 -22.19 -21.56 -21.08 -22.20 -21.02 -21.12 -21.27 -20.76 -21.59 -22.09 -22.08 -21.95 -21.57 -21.82 -22.48 -21.68 -21.69 -20.70 -21.83 -22.40 -21.87 -20.44 -19.90 1285 3-Methyl-2,5-dihydrofuran-2,5-dione -106.88 -107.45 -108.08 -106.20 -109.74 -99.88 -103.05 -102.81 -102.71 -105.97 -106.24 -107.40 -106.59 -109.44 -109.36 -109.55 -112.25 -112.21 -111.75 -111.43 -112.77 -112.58 -112.25 -111.77 -110.38 -105.84 -105.94 -107.41 -96.45 -93.97 1286 Methyl methacrylate -86.04 -80.80 -81.36 -80.39 -82.35 -78.73 -76.98 -76.41 -78.21 -81.25 -81.17 -78.01 -81.65 -79.28 -80.63 -80.56 -85.12 -85.14 -81.98 -81.41 -81.83 -81.71 -82.87 -82.61 -82.96 -80.56 -80.53 -81.50 -78.76 -79.11 1287 (Methylsulfanyl)butane -24.41 -25.68 -24.94 -25.34 -24.70 -25.01 -25.77 -25.85 -25.03 -24.56 -25.11 -24.96 -24.60 -25.13 -24.45 -24.87 -25.03 -25.07 -25.64 -25.26 -25.33 -25.70 -24.80 -24.98 -24.26 -25.04 -25.30 -25.03 -21.86 -22.87 1288 Methyl nitrate -28.78 -28.42 -30.32 -29.26 -33.05 -30.31 -35.58 -35.90 -33.81 -31.37 -32.18 -36.76 -31.73 -35.92 -34.19 -34.79 -34.07 -34.06 -34.26 -34.00 -34.60 -34.11 -32.70 -31.71 -32.66 -30.68 -31.07 -31.31 -36.85 -31.44 1289 Methoxypentane -66.44 -66.47 -67.15 -67.37 -67.28 -66.18 -66.19 -65.94 -66.36 -67.28 -67.03 -66.83 -67.59 -66.99 -67.21 -67.04 -69.49 -69.53 -67.12 -66.86 -67.05 -66.59 -67.37 -67.22 -67.85 -67.37 -67.23 -68.19 -67.24 -67.10 1290 Methyl octanoate -127.61 -127.82 -128.84 -128.57 -128.95 -120.55 -124.48 -124.07 -122.37 -125.00 -126.79 -126.30 -125.90 -128.08 -126.67 -128.09 -132.16 -132.36 -131.15 -130.42 -131.07 -130.55 -130.65 -130.43 -128.86 -126.84 -127.64 -129.67 -126.48 -126.81 1291 Methyloxirane -21.69 -22.25 -22.80 -22.50 -23.26 -23.12 -23.31 -23.78 -25.95 -23.58 -21.70 -24.75 -23.38 -24.52 -26.16 -24.71 -26.61 -26.51 -24.66 -24.32 -24.50 -23.80 -24.02 -23.57 -23.75 -22.80 -21.91 -22.10 -19.53 -20.25 1292 Methyl pentanoate -112.61 -112.56 -113.53 -113.35 -114.54 -108.60 -109.73 -109.32 -109.38 -112.33 -112.72 -111.72 -112.91 -113.16 -113.13 -113.44 -117.77 -117.82 -115.64 -115.11 -115.49 -115.12 -115.66 -115.39 -115.11 -112.91 -113.07 -114.48 -111.48 -111.43 1293 (Methylsulfanyl)pentane -29.14 -30.78 -30.06 -30.43 -29.52 -29.00 -30.70 -30.77 -29.38 -28.79 -29.81 -29.84 -28.94 -30.11 -28.98 -29.76 -29.84 -29.92 -30.82 -30.36 -30.53 -30.85 -29.80 -30.00 -28.85 -29.70 -30.17 -30.11 -26.86 -27.94 1294 Methyl propionate -102.18 -102.55 -103.50 -103.36 -105.06 -100.70 -99.96 -99.57 -100.79 -103.95 -103.41 -102.05 -104.32 -103.30 -104.19 -103.76 -108.30 -108.28 -105.42 -105.03 -105.22 -104.91 -105.79 -105.46 -106.02 -103.72 -103.45 -104.46 -101.21 -101.21 1295 Methoxypropane -56.93 -56.41 -57.07 -57.34 -57.80 -58.27 -56.43 -56.19 -57.76 -58.90 -57.74 -57.18 -58.99 -57.13 -58.25 -57.36 -60.00 -59.96 -56.87 -56.77 -56.77 -56.39 -57.49 -57.30 -58.76 -58.16 -57.61 -58.16 -57.33 -57.13 1296 Methyl salicylate -110.97 -103.72 -103.91 -101.76 -105.66 -94.11 -99.18 -98.32 -96.88 -101.48 -104.19 -103.13 -102.70 -105.39 -104.12 -106.20 -110.81 -110.92 -106.43 -106.05 -107.59 -107.57 -108.34 -107.25 -106.49 -102.39 -103.68 -105.15 -102.49 -102.71 1297 2-Methoxybutane -65.73 -64.75 -65.49 -65.50 -66.03 -63.83 -63.46 -63.16 -63.83 -64.87 -65.13 -63.79 -65.20 -64.11 -64.54 -64.76 -67.71 -67.74 -64.70 -64.61 -64.91 -64.33 -65.60 -65.13 -65.57 -65.26 -65.39 -66.25 -65.15 -64.93 1298 Methylsulfanylbenzene 22.88 19.91 21.79 23.57 22.43 22.41 20.19 20.31 20.69 22.25 20.25 20.84 22.10 20.80 21.17 19.67 22.17 22.14 21.35 21.49 20.88 19.66 21.57 21.54 22.14 21.76 20.77 21.61 22.86 21.14 1299 Methoxyethene -25.81 -25.51 -25.66 -25.56 -26.01 -29.53 -25.54 -25.23 -27.74 -28.92 -27.40 -25.41 -28.83 -25.04 -26.96 -25.77 -29.14 -29.06 -25.32 -25.33 -24.86 -24.80 -26.49 -26.62 -28.07 -26.95 -26.23 -26.51 -29.27 -28.37 1300 N-methylurea -55.58 -53.32 -54.46 -55.22 -55.52 -46.00 -50.56 -49.70 -45.34 -54.15 -55.20 -57.61 -55.11 -57.92 -54.59 -55.38 -60.42 -60.42 -57.49 -57.51 -56.38 -56.24 -57.72 -57.12 -58.68 -54.97 -55.46 -57.17 -48.39 -50.89 1301 Morpholine -34.35 -34.01 -34.82 -34.93 -35.65 -23.40 -29.75 -29.15 -27.70 -30.32 -32.05 -34.52 -31.37 -35.88 -34.59 -35.90 -39.28 -39.24 -35.47 -35.30 -37.14 -35.93 -36.52 -35.03 -35.58 -32.07 -32.82 -34.57 -41.30 -37.42 1302 3-Methylbenzaldehyde -16.70 -18.22 -17.52 -14.90 -16.54 -17.41 -17.52 -17.26 -17.22 -18.28 -19.37 -17.54 -18.43 -17.99 -17.93 -18.76 -16.85 -16.88 -18.23 -18.17 -18.46 -19.47 -18.44 -18.88 -18.35 -18.02 -18.53 -18.49 -12.78 -15.96 1303 2-[(2-aminoethyl)amino]ethan-1-ol -45.65 -42.95 -43.50 -45.13 -43.86 -29.89 -36.31 -35.40 -29.16 -38.84 -40.97 -43.06 -40.20 -44.21 -39.38 -41.03 -48.60 -48.70 -43.24 -43.07 -43.08 -42.71 -44.94 -44.16 -44.01 -41.32 -42.30 -44.59 -47.45 -44.11 1304 Naphthalen-1-amine 31.74 34.59 36.09 39.28 38.48 42.65 34.68 35.23 39.87 38.52 34.26 31.88 37.71 32.49 36.18 32.92 37.09 36.97 36.85 36.23 35.68 34.69 35.78 36.28 36.37 36.46 34.43 34.51 38.59 39.21 1305 Naphthalen-2-amine 32.10 34.04 35.44 38.60 37.91 41.21 33.51 34.04 38.69 37.15 33.33 30.49 36.40 31.29 34.98 32.06 36.37 36.26 35.87 35.23 34.78 33.81 34.96 35.46 35.16 35.45 33.63 33.79 37.22 38.10 1306 N-butylacetamide -72.98 -71.86 -72.86 -73.09 -73.07 -67.62 -71.32 -70.81 -67.59 -71.94 -73.27 -74.56 -72.64 -74.69 -72.20 -73.25 -75.73 -75.84 -75.48 -75.32 -74.60 -74.38 -74.73 -74.58 -74.91 -72.91 -73.51 -74.90 -72.44 -73.35 1307 N-butylamine -21.99 -21.10 -21.28 -22.49 -20.59 -19.60 -21.01 -20.84 -17.82 -21.19 -21.27 -22.86 -21.42 -22.26 -19.96 -20.02 -21.97 -21.96 -21.00 -21.17 -20.23 -20.33 -21.35 -21.48 -21.57 -21.94 -21.96 -22.40 -20.75 -21.26 1308 2,2-dimethylpropane-1,3-diol -113.67 -110.85 -111.42 -112.10 -112.54 -98.56 -102.76 -102.30 -97.83 -103.89 -107.44 -104.90 -104.95 -107.39 -103.90 -106.62 -115.15 -115.22 -108.89 -108.91 -109.71 -109.91 -111.89 -111.50 -107.62 -107.35 -108.99 -111.12 -113.32 -112.72 1309 N-ethylaniline 15.27 14.94 15.42 16.84 17.03 17.95 13.45 13.94 16.66 15.24 13.29 11.26 14.67 12.19 14.38 12.89 14.06 13.97 14.37 14.11 14.41 14.19 14.11 14.33 13.57 14.61 13.71 13.31 15.71 15.59 1310 N-ethylmorpholine -43.86 -41.50 -42.57 -42.00 -43.15 -27.72 -36.19 -35.47 -33.89 -35.03 -38.94 -40.36 -36.42 -41.97 -40.51 -43.54 -46.58 -46.71 -42.52 -42.41 -44.79 -43.25 -43.59 -41.82 -41.35 -38.08 -39.89 -42.15 -49.84 -46.43 1311 Nitrobenzene 16.13 13.85 13.50 16.28 12.66 16.23 9.53 9.50 12.27 14.22 11.94 8.26 13.67 8.92 11.21 9.49 13.51 13.49 10.65 10.89 10.18 9.99 12.19 12.86 12.43 13.72 12.68 12.75 18.51 18.18 1312 Nitroethane -24.42 -24.34 -25.78 -25.04 -27.69 -24.72 -28.59 -28.92 -26.45 -25.60 -26.14 -29.74 -25.82 -28.95 -27.02 -27.42 -26.61 -26.58 -28.21 -27.96 -27.83 -27.65 -26.19 -25.73 -26.48 -25.86 -26.09 -26.19 -21.42 -22.64 1313 N-methylacetamide -57.36 -54.90 -55.83 -56.18 -56.65 -53.85 -54.90 -54.43 -52.93 -57.48 -57.35 -58.24 -57.86 -58.13 -56.99 -56.89 -59.73 -59.71 -58.31 -58.26 -57.26 -57.21 -57.98 -57.82 -59.37 -57.15 -57.09 -57.96 -54.82 -56.05 1314 N-methylaniline 21.03 21.77 22.27 23.67 23.66 23.61 20.04 20.52 22.62 21.17 19.68 17.85 20.72 18.85 20.56 19.43 20.50 20.47 21.20 20.86 21.29 20.98 20.82 21.05 19.91 21.02 20.34 20.12 22.42 22.01 1315 N-methylcyclohexylamine -24.62 -22.12 -22.46 -22.28 -20.86 -9.26 -18.46 -18.26 -13.26 -14.32 -18.53 -21.21 -15.32 -22.20 -18.23 -21.50 -22.07 -22.23 -22.25 -22.28 -23.62 -22.88 -22.47 -21.57 -19.03 -18.33 -20.27 -21.93 -24.37 -22.92 1316 N-methylformamide -43.98 -42.99 -43.74 -43.93 -44.68 -43.33 -43.11 -42.67 -41.96 -46.28 -45.73 -46.28 -46.50 -45.94 -45.45 -45.02 -47.58 -47.54 -45.78 -45.92 -44.79 -44.91 -45.69 -45.78 -47.38 -45.49 -45.23 -45.97 -41.26 -43.95 1317 N-methylpyrrolidine -1.94 -3.29 -3.77 -3.73 -3.24 3.84 -2.26 -2.16 -0.48 0.23 -1.20 -5.41 -0.38 -5.22 -3.80 -4.89 -4.28 -4.28 -3.91 -4.03 -5.22 -4.21 -4.25 -3.13 -2.99 -1.80 -2.43 -3.35 -8.86 -5.58 1318 N,N-diethylaniline 9.61 10.10 10.40 12.76 12.16 17.84 10.58 11.27 13.91 14.76 9.27 9.63 13.80 9.94 12.18 7.88 9.85 9.51 10.93 10.25 10.00 9.88 10.21 10.63 11.89 12.10 9.47 8.71 10.91 10.60 1319 N,N-diethylmethylamine -17.30 -16.89 -17.48 -17.52 -16.98 -13.94 -16.24 -15.86 -14.75 -15.41 -16.94 -17.21 -15.93 -16.67 -15.74 -16.94 -18.29 -18.36 -16.24 -16.13 -16.09 -15.61 -16.69 -16.29 -16.57 -16.80 -17.51 -18.52 -14.02 -15.52 1320 N,N-dimethylacetamide -53.78 -53.62 -54.61 -54.59 -55.64 -50.98 -53.24 -52.64 -52.06 -54.64 -55.80 -55.87 -55.20 -55.97 -55.46 -56.35 -58.90 -58.91 -56.66 -56.53 -56.01 -55.88 -56.34 -56.03 -57.15 -55.02 -55.56 -56.64 -53.34 -54.65 1321 N,N-dimethylaniline 24.02 23.26 23.68 25.57 24.71 26.97 22.04 22.68 23.88 24.45 21.48 20.60 23.80 21.36 22.47 20.18 21.80 21.69 23.34 23.00 22.99 22.75 22.82 23.23 22.58 23.43 22.04 21.56 24.03 23.20 1322 Butyldimethylamine -21.89 -21.31 -21.89 -21.95 -21.09 -17.57 -20.65 -20.30 -18.67 -19.31 -21.06 -21.76 -19.91 -21.27 -19.92 -21.29 -22.64 -22.75 -20.92 -20.74 -20.79 -20.31 -21.11 -20.77 -20.77 -20.96 -21.75 -22.96 -19.32 -21.17 1323 N,N-dipropylpropan-1-amine -38.48 -37.68 -38.44 failed -36.67 -29.34 -35.53 -35.10 -31.68 -31.86 -36.02 -36.10 -32.83 -36.18 -33.42 -36.76 -37.42 -37.89 -36.77 -36.91 -37.28 -36.41 -37.15 -36.63 -34.60 -35.28 -37.28 -38.93 -34.91 -37.21 1324 Nonan-5-one -82.43 -80.24 -80.82 -80.41 -79.27 -76.65 -78.79 -78.73 -76.11 -77.72 -79.60 -78.36 -78.12 -79.30 -77.27 -78.78 -79.89 -80.10 -81.92 -81.68 -81.60 -81.74 -81.06 -81.60 -79.01 -79.29 -80.16 -81.21 -81.07 -84.10 1325 Nonanoic acid -137.98 -137.74 -138.43 -138.85 -138.01 -128.59 -133.96 -133.75 -128.43 -133.56 -135.78 -136.52 -134.52 -138.27 -134.18 -135.93 -140.90 -141.10 -140.87 -140.27 -140.35 -140.31 -140.54 -140.77 -137.55 -136.13 -137.12 -139.19 -135.39 -137.43 1326 N-pentylamine -27.01 -26.22 -26.38 -27.50 -25.37 -23.43 -25.74 -25.56 -22.00 -25.34 -25.83 -27.60 -25.69 -27.15 -24.42 -24.80 -26.72 -26.75 -26.13 -26.14 -25.37 -25.37 -26.30 -26.38 -26.13 -26.56 -26.76 -27.43 -23.39 -24.22 1327 bis(prop-2-en-1-yl)amine 31.91 32.97 33.56 34.09 35.69 34.55 35.88 36.39 37.32 34.14 33.75 35.78 33.84 36.17 36.81 36.48 33.83 33.76 35.05 35.21 35.75 35.86 34.03 33.81 33.77 34.89 34.72 34.11 31.63 31.96 1328 n-propyl propionate -115.46 -108.37 -109.34 -109.21 -110.40 -105.13 -106.40 -105.99 -105.84 -108.52 -109.11 -108.04 -109.11 -109.37 -109.20 -109.67 -113.80 -113.88 -111.77 -111.29 -111.55 -111.21 -111.80 -111.65 -111.19 -108.93 -109.18 -110.72 -106.60 -106.06 1329 Octanoic acid -132.89 -132.65 -133.33 -133.77 -133.21 -124.61 -129.04 -128.84 -124.10 -129.35 -131.09 -131.66 -130.20 -133.30 -129.67 -131.05 -136.12 -136.27 -135.72 -135.18 -135.15 -135.17 -135.54 -135.76 -132.97 -131.49 -132.26 -134.13 -130.39 -132.33 1330 2-Ethylaniline 7.96 7.58 8.23 9.67 9.99 13.42 7.59 8.00 12.45 10.33 7.24 5.55 9.68 6.03 9.51 7.13 7.73 7.61 8.06 7.76 8.01 7.34 7.29 7.43 8.31 8.56 7.10 6.72 9.16 9.85 1331 Oxetane -18.59 -18.71 -19.18 -19.14 -19.56 -18.31 -18.88 -19.07 -21.39 -19.70 -18.09 -20.66 -19.61 -20.95 -22.63 -21.38 -21.59 -21.48 -20.83 -20.92 -21.57 -20.84 -21.01 -20.43 -20.69 -18.74 -17.95 -18.42 -29.08 -25.38 1332 Oxolan-2-one -87.60 -87.44 -88.19 -87.90 -89.55 -81.71 -85.18 -85.08 -85.18 -86.67 -86.55 -88.98 -87.13 -90.45 -90.43 -90.32 -92.24 -92.16 -91.59 -91.51 -92.75 -92.14 -91.80 -91.13 -90.58 -87.03 -86.92 -88.06 -91.32 -88.38 1333 2,4,6-Trimethyl-1,3,5-trioxane -151.00 -147.52 -149.38 -148.40 -152.97 -129.98 -137.59 -136.67 -136.83 -140.35 -142.48 -143.98 -142.19 -146.88 -146.73 -148.40 -156.59 -156.77 -148.93 -148.30 -152.38 -149.24 -151.99 -148.63 -149.23 -143.38 -144.38 -147.42 -150.87 -147.25 1334 Pentachloroethane -33.91 -40.94 -38.90 -37.75 -47.36 -33.58 -34.13 -34.18 -33.54 -33.27 -34.65 -32.93 -33.48 -33.76 -33.23 -34.24 -35.93 -35.91 -34.96 -34.16 -35.48 -34.11 -35.47 -34.90 -33.95 -35.05 -35.67 -35.14 -33.75 -38.38 1335 Pentafluoroethane -263.00 -265.44 -266.18 -265.81 -271.79 -265.12 -263.33 -263.50 -264.50 -266.63 -265.22 -265.36 -266.54 -265.95 -266.79 -265.70 -266.61 -266.53 -265.60 -265.96 -264.92 -265.73 -264.92 -265.52 -266.17 -266.59 -265.94 -266.03 -261.48 -256.57 1336 1,1,1,2,2-pentafluoro-2-methoxyethane -305.45 -311.47 -313.08 -311.83 -319.92 -304.37 -305.24 -304.98 -305.97 -309.87 -309.45 -309.48 -310.52 -311.29 -312.00 -311.68 -316.64 -316.63 -312.17 -311.96 -312.67 -312.17 -312.80 -311.92 -312.71 -310.87 -310.70 -312.16 -309.81 -308.36 1337 Pentanenitrile 2.62 2.89 2.67 3.34 4.43 5.43 8.15 8.34 7.36 4.84 5.62 8.00 4.91 7.17 6.39 6.98 3.83 3.85 4.24 4.74 4.84 4.75 4.15 3.47 4.36 3.27 3.66 3.19 5.83 3.51 1338 Pentanoic acid -117.50 -117.39 -118.03 -118.55 -118.82 -112.66 -114.28 -114.09 -111.11 -116.67 -117.01 -117.08 -117.20 -118.38 -116.13 -116.40 -121.72 -121.73 -120.20 -119.87 -119.58 -119.74 -120.55 -120.72 -119.22 -117.55 -117.68 -118.93 -115.40 -116.96 1339 Pentyl formate -107.12 -108.27 -108.97 -108.81 -109.73 -104.55 -105.35 -104.96 -105.14 -107.81 -108.10 -107.13 -108.36 -108.36 -108.46 -108.70 -112.61 -112.66 -110.66 -110.14 -110.52 -110.20 -110.69 -110.69 -110.24 -108.46 -108.56 -110.07 -106.60 -106.75 1340 4-Ethylphenol -34.44 -35.32 -34.82 -33.19 -34.02 -31.73 -34.92 -34.70 -31.79 -33.96 -35.61 -36.43 -34.36 -36.42 -34.12 -35.39 -36.07 -36.12 -35.05 -35.51 -35.42 -36.06 -36.22 -36.16 -35.15 -34.63 -35.42 -35.47 -34.46 -36.06 1341 Phenazine 78.59 76.22 77.74 83.24 79.23 90.61 78.70 79.63 82.53 83.26 77.45 73.99 81.95 74.07 76.61 72.15 80.94 80.76 79.86 79.04 76.79 76.66 79.12 80.70 79.24 80.02 77.25 77.11 85.64 86.22 1342 Ethoxybenzene -24.28 -25.66 -25.27 -23.65 -24.99 -24.62 -26.22 -25.77 -26.33 -26.48 -27.09 -27.27 -26.90 -27.21 -27.49 -27.95 -28.06 -28.11 -26.38 -26.46 -26.92 -26.76 -27.23 -26.77 -27.77 -26.14 -26.41 -26.84 -23.80 -24.43 1343 Phenyl acetate -66.85 -65.78 -65.69 -63.49 -66.35 -61.38 -63.51 -62.92 -63.05 -65.68 -66.83 -66.01 -66.35 -67.11 -67.08 -67.96 -69.92 -69.98 -68.61 -68.48 -69.20 -69.15 -69.41 -68.88 -68.93 -65.57 -66.11 -66.95 -64.19 -65.02 1344 Phenylalanine -74.78 -72.81 -72.50 -71.09 -72.47 -55.79 -65.64 -64.72 -57.96 -64.97 -70.73 -70.62 -66.60 -72.96 -67.66 -72.13 -75.59 -75.86 -73.99 -74.44 -75.14 -75.71 -76.21 -75.72 -71.86 -68.63 -71.36 -73.02 -68.57 -67.86 1345 Phenylmethanamine 21.77 19.90 20.89 21.98 22.35 24.74 21.38 21.80 24.59 21.80 20.21 19.17 21.32 19.32 21.54 20.33 20.91 20.87 20.97 20.64 20.80 20.28 19.95 20.13 20.33 20.79 20.05 19.96 23.57 23.72 1346 Phenylmethanethiol 22.30 18.57 20.58 22.19 21.10 21.89 20.18 20.32 21.09 21.08 19.21 20.17 20.84 19.91 20.60 19.16 21.37 21.33 19.76 19.58 19.20 18.85 19.78 19.65 20.35 20.68 19.77 20.26 19.83 18.96 1347 Phenylmethyl benzoate -45.65 -42.29 -41.05 -36.29 -40.62 -31.17 -37.39 -36.42 -36.10 -37.45 -41.70 -39.78 -38.72 -41.80 -41.29 -44.60 -42.67 -43.01 -43.30 -43.15 -45.34 -45.62 -44.54 -43.70 -42.53 -39.12 -41.14 -42.09 -34.67 -35.25 1348 1,3-Dihydro-2-benzofuran -7.19 -8.56 -8.01 -5.59 -7.94 -1.85 -7.22 -7.02 -7.41 -6.01 -7.39 -10.18 -6.51 -10.90 -10.99 -12.03 -9.38 -9.39 -9.32 -9.83 -11.76 -11.45 -10.38 -9.33 -9.27 -6.63 -7.27 -7.41 -14.78 -12.20 1349 Benzene-1,4-diol -63.90 -62.32 -62.01 -61.53 -63.32 -57.40 -61.19 -60.78 -56.63 -62.29 -63.29 -64.99 -62.94 -65.56 -62.33 -63.06 -67.86 -67.82 -63.65 -64.13 -63.95 -64.50 -65.79 -65.47 -64.85 -62.20 -62.65 -63.37 -63.71 -65.20 1350 Piperidine -11.42 -10.98 -11.31 -11.52 -10.40 -2.22 -8.97 -8.81 -5.29 -6.61 -8.65 -12.14 -7.31 -12.61 -9.82 -11.38 -11.94 -11.92 -11.77 -11.70 -12.70 -11.99 -11.83 -10.98 -10.25 -9.08 -9.97 -11.08 -11.10 -9.19 1351 Benzene-1,4-diamine 21.80 23.68 24.13 24.65 24.78 30.93 23.50 24.22 31.09 24.91 22.30 18.10 24.01 19.18 24.46 22.47 21.16 21.10 22.91 22.27 23.17 22.62 21.76 22.33 21.64 23.62 22.39 21.74 21.00 22.26 1352 Proline -87.52 -91.46 -92.43 -92.67 -93.40 -74.77 -85.34 -84.85 -79.41 -84.31 -87.98 -91.77 -85.68 -93.99 -89.69 -92.51 -96.38 -96.41 -94.53 -94.90 -96.35 -95.78 -96.07 -94.97 -91.96 -87.85 -89.53 -91.49 -93.99 -91.07 1353 Propanal -44.27 -44.70 -44.95 -45.00 -45.20 -47.60 -44.14 -44.15 -44.95 -47.32 -45.87 -44.20 -47.09 -44.51 -45.23 -44.10 -46.02 -45.93 -45.81 -45.69 -45.13 -45.46 -45.87 -46.40 -46.47 -46.18 -45.48 -45.54 -41.16 -44.83 1354 Propanamide -61.89 -60.17 -60.96 -61.62 -61.58 -57.68 -59.13 -58.71 -55.61 -61.79 -61.92 -62.80 -62.23 -62.98 -60.67 -60.76 -64.43 -64.40 -63.46 -63.38 -62.34 -62.51 -63.46 -63.41 -63.94 -61.98 -62.03 -63.00 -58.78 -60.45 1355 Propane-1,2-diol -100.67 -101.30 -101.97 -103.20 -103.65 -94.99 -96.08 -95.67 -92.83 -99.60 -100.06 -99.08 -100.25 -100.71 -98.52 -98.85 -106.85 -106.78 -100.98 -100.90 -101.08 -101.09 -103.35 -103.02 -102.01 -100.72 -100.91 -102.15 -105.66 -104.47 1356 Propane-1,3-diol -95.61 -94.98 -95.49 -96.90 -96.78 -90.35 -90.69 -90.35 -87.79 -94.59 -94.48 -93.81 -95.07 -95.25 -93.28 -93.17 -100.39 -100.33 -95.02 -95.11 -94.93 -95.24 -96.98 -97.06 -96.26 -95.00 -94.93 -96.04 -102.30 -101.63 1357 Propanedinitrile 63.46 60.54 60.40 62.38 62.33 68.09 73.96 74.48 71.19 65.79 67.22 73.04 65.89 70.67 68.04 69.12 62.14 62.16 64.22 65.19 64.59 64.56 63.13 62.39 63.83 62.97 63.64 62.97 59.86 57.65 1358 Propanenitrile 12.31 13.22 13.02 13.70 14.24 13.81 18.39 18.56 16.42 13.69 15.36 18.15 13.98 17.51 15.81 17.10 13.74 13.81 14.89 15.22 15.47 15.37 14.38 13.80 13.91 12.93 13.72 13.66 16.02 13.62 1359 Propenal -19.55 -16.08 -15.91 -15.31 -15.65 -20.80 -14.66 -14.50 -16.81 -19.28 -17.29 -13.73 -18.91 -13.87 -15.75 -14.22 -15.82 -15.74 -15.35 -15.23 -14.66 -15.11 -16.00 -16.80 -17.27 -16.93 -15.98 -16.04 -11.80 -14.98 1360 Propyl acetate -111.09 -110.03 -110.98 -110.87 -112.33 -107.71 -107.66 -107.26 -107.80 -111.12 -110.65 -109.90 -111.58 -111.01 -111.37 -111.02 -115.35 -115.37 -113.18 -112.74 -112.93 -112.44 -113.30 -112.96 -113.51 -111.11 -110.87 -112.09 -109.56 -109.54 1361 Propylamine -16.82 -16.16 -16.32 -17.54 -15.92 -15.72 -16.21 -16.04 -13.58 -17.07 -16.71 -18.12 -17.19 -17.41 -15.55 -15.25 -17.32 -17.27 -15.95 -16.20 -15.17 -15.30 -16.49 -16.59 -17.09 -17.41 -17.23 -17.47 -15.72 -16.22 1362 Propyl formate -97.42 -98.18 -98.87 -98.75 -100.20 -96.59 -95.54 -95.16 -96.49 -99.38 -98.76 -97.43 -99.71 -98.45 -99.45 -98.98 -103.08 -103.04 -100.38 -100.01 -100.20 -99.96 -100.77 -100.72 -101.10 -99.21 -98.89 -99.99 -96.69 -96.79 1363 Pyrazole 43.30 42.11 42.12 42.64 42.33 48.55 42.52 42.66 44.61 43.77 43.89 36.99 43.25 38.37 40.00 40.11 39.90 39.94 40.33 40.11 40.20 41.25 40.45 41.68 40.10 42.73 42.82 42.22 42.83 44.79 1364 Pyridazine 66.54 66.14 66.54 67.80 66.72 70.69 67.83 68.27 67.81 66.92 66.36 64.62 66.48 64.65 64.45 64.06 65.80 65.84 65.87 65.74 65.10 65.34 65.64 66.18 64.87 66.82 66.61 66.18 55.18 53.15 1365 Pyrrolidine-2-one -47.32 -46.69 -47.50 -47.55 -48.07 -39.58 -45.67 -45.43 -42.66 -45.72 -46.59 -50.97 -46.36 -51.52 -49.35 -49.98 -50.63 -50.59 -51.28 -51.46 -51.79 -51.34 -50.81 -50.11 -50.16 -46.72 -47.08 -48.24 -51.18 -49.73 1366 Quinoline 47.92 45.77 46.97 50.62 48.84 51.72 46.57 47.06 47.85 48.27 45.78 44.12 47.72 44.39 45.19 43.29 48.59 48.57 47.55 47.11 46.07 45.62 47.02 47.56 46.63 47.20 46.04 46.22 50.70 49.69 1367 Salicylaldehyde -51.37 -57.68 -57.45 -55.86 -57.89 -55.40 -58.33 -57.75 -55.88 -58.79 -60.55 -60.10 -59.38 -60.74 -59.26 -60.58 -60.97 -60.96 -59.70 -59.81 -60.14 -60.90 -60.88 -60.83 -60.63 -58.38 -59.18 -59.65 -54.66 -57.69 1368 Butan-2-yl acetate -120.41 -118.74 -119.81 -119.36 -120.91 -113.60 -115.08 -114.63 -114.23 -117.39 -118.53 -116.90 -118.09 -118.34 -117.97 -118.88 -123.32 -123.44 -121.30 -120.93 -121.41 -120.78 -121.74 -121.17 -120.59 -118.54 -119.08 -120.55 -118.35 -118.04 1369 Butan-2-amine -24.98 -24.69 -24.87 -25.81 -24.16 -21.33 -23.27 -23.06 -19.63 -23.17 -23.99 -24.97 -23.54 -24.57 -21.96 -22.60 -25.15 -25.14 -23.83 -23.78 -23.22 -23.23 -24.56 -24.47 -24.05 -24.66 -25.03 -25.71 -20.05 -20.09 1370 Hexan-2-yl acetate -125.79 -128.92 -130.02 -129.46 -130.51 -121.49 -124.84 -124.38 -122.83 -125.75 -127.90 -126.53 -126.67 -128.19 -126.92 -128.64 -132.81 -133.06 -131.53 -131.08 -131.79 -131.03 -131.72 -131.16 -129.66 -127.78 -128.79 -130.66 -128.32 -128.18 1371 Succinic anhydride -125.26 -124.78 -125.64 -125.01 -128.37 -116.70 -120.95 -120.80 -119.83 -123.76 -123.99 -126.09 -124.43 -128.50 -127.72 -127.87 -131.63 -131.55 -131.44 -131.13 -132.36 -131.98 -131.42 -130.91 -129.25 -124.11 -124.17 -125.81 -123.72 -121.57 1372 Succinimide -86.57 -87.03 -88.11 -87.76 -89.56 -77.98 -84.61 -84.24 -80.91 -86.45 -87.69 -91.35 -87.33 -92.94 -90.38 -91.31 -93.33 -93.29 -94.28 -94.31 -94.61 -94.43 -93.49 -92.94 -92.35 -87.16 -87.70 -89.45 -91.80 -91.09 1373 Sulfolane -89.08 -83.76 -83.81 -83.96 -84.40 -68.33 -79.72 -79.66 -76.33 -75.11 -79.79 -84.74 -75.95 -85.27 -82.58 -86.12 -81.95 -81.95 -85.12 -85.26 -87.00 -88.53 -84.72 -83.96 -80.73 -80.43 -82.64 -82.91 -96.34 -92.10 1374 tert-butyl formate -111.16 -109.72 -110.57 -109.85 -111.66 -103.08 -104.16 -103.66 -103.68 -106.49 -108.50 -105.29 -107.23 -106.97 -106.94 -108.50 -113.52 -113.54 -110.45 -110.07 -110.84 -110.52 -111.62 -111.11 -109.63 -108.37 -109.31 -110.88 -110.21 -108.48 1375 Tetraethoxysilane -324.09 -318.30 -322.17 failed -325.64 -294.49 -298.34 -294.95 -300.27 -310.00 -315.92 -306.33 -312.44 -310.71 -314.24 -318.90 -333.23 -333.93 -317.02 -315.96 -321.52 -320.50 -322.85 -320.00 -321.19 -315.44 -318.55 -321.67 -298.21 -295.18 1376 Thiethane 14.48 13.77 14.62 14.45 14.81 16.00 13.80 13.38 12.98 15.63 16.11 13.22 15.76 12.95 12.69 13.09 14.35 14.43 12.86 13.03 12.46 12.64 13.64 14.06 15.07 15.51 15.76 15.98 4.75 5.81 1377 2-[(2-Hydroxyethyl)sulfanyl]ethan-1-ol -91.78 -90.59 -90.26 -91.50 -92.18 -79.71 -83.10 -82.63 -79.35 -85.96 -87.83 -86.39 -86.88 -89.25 -86.66 -88.06 -95.68 -95.70 -90.62 -89.92 -91.09 -91.72 -91.93 -91.48 -89.58 -87.69 -88.60 -89.60 -95.07 -93.01 1378 Thiourea 5.47 4.50 4.47 3.86 3.60 11.43 6.64 7.36 12.91 4.89 3.60 0.62 4.00 1.04 5.23 4.26 0.22 0.20 2.36 2.14 3.41 3.89 1.93 2.58 1.37 4.20 3.59 2.30 5.50 8.50 1379 (1E)-1,2-dichloroethene 1.33 -0.99 0.56 0.47 -1.77 -6.78 -1.70 -1.87 -3.43 -4.14 -0.97 -1.09 -3.58 0.15 -1.13 1.27 0.32 0.37 0.33 -0.03 1.65 2.50 1.13 0.09 -1.81 -1.26 0.36 0.16 -1.40 -0.18 1380 (2E)-but-2-en-1,4-diol -71.94 -70.91 -71.07 -71.77 -71.60 -67.30 -65.98 -65.56 -63.43 -70.71 -70.07 -68.41 -71.14 -69.69 -68.12 -67.62 -74.90 -74.87 -70.05 -69.85 -69.76 -70.07 -72.23 -72.35 -71.95 -70.13 -69.83 -70.80 -82.60 -81.93 1381 (1R,3R)-3-methylcyclohexan-1-ol -78.66 -76.45 -76.83 -76.61 -76.03 -62.64 -70.59 -70.52 -65.38 -67.59 -71.59 -72.73 -68.57 -74.72 -70.68 -73.77 -76.80 -76.90 -75.78 -75.76 -77.61 -77.01 -77.08 -76.13 -72.29 -71.89 -73.73 -75.41 -79.59 -77.81 1382 (2E)-but-2-enoic acid -88.12 -85.43 -85.73 -85.61 -86.37 -84.71 -83.00 -82.70 -81.49 -87.24 -86.37 -85.01 -87.49 -85.81 -84.99 -84.31 -89.31 -89.26 -87.27 -86.89 -86.36 -86.71 -88.06 -88.38 -88.23 -86.14 -85.72 -86.52 -85.82 -86.55 1383 Tribromomethane 4.85 11.63 11.74 9.75 -1.02 11.06 11.94 12.01 11.85 11.12 11.38 11.85 11.15 11.83 11.70 11.91 10.99 10.98 11.34 11.70 11.46 11.74 11.36 11.45 11.14 11.12 11.20 11.42 12.39 9.49 1384 Tributylamine -52.06 -52.90 -53.74 failed -50.98 -41.00 -49.98 -49.54 -44.42 -44.23 -49.93 -50.37 -45.53 -50.79 -46.70 -51.27 -51.54 -52.25 -52.00 -52.05 -52.75 -51.67 -52.02 -51.49 -48.06 -48.99 -51.71 -53.94 -49.51 -52.17 1385 Trichloroacetaldehyde -47.08 -48.15 -47.15 -46.13 -52.47 -45.87 -43.73 -43.71 -43.78 -45.74 -45.13 -43.23 -45.75 -44.05 -44.20 -43.72 -46.43 -46.39 -45.89 -45.36 -45.73 -45.13 -46.12 -46.28 -45.78 -45.47 -45.11 -45.30 -47.26 -48.32 1386 Trichloroethylsilane -141.37 -141.11 -139.50 -139.15 -146.10 -134.06 -136.61 -136.34 -135.55 -137.03 -138.88 -138.24 -137.24 -139.28 -138.72 -140.15 -139.47 -139.50 -140.80 -141.16 -140.99 -143.57 -140.73 -141.07 -138.59 -139.28 -140.30 -140.55 -132.29 -128.97 1387 (Trichloromethyl)benzene -2.94 -1.07 0.81 4.02 -2.93 5.35 3.18 3.38 4.12 5.55 2.80 4.57 5.25 4.24 4.92 2.82 5.19 5.09 4.28 4.02 3.12 3.30 3.20 3.63 4.93 3.72 2.41 3.31 -0.03 -3.04 1388 Trichloromethylsilane -136.66 -138.30 -136.56 -136.32 -143.05 -132.53 -133.96 -133.71 -133.43 -135.37 -135.91 -136.03 -135.48 -136.77 -136.63 -137.04 -136.74 -136.73 -138.04 -138.34 -138.03 -140.24 -137.96 -138.29 -136.71 -136.98 -137.33 -137.74 -130.12 -124.01 1389 Triethanolamine -134.19 -128.08 -129.31 -130.16 -131.13 -106.30 -114.79 -113.49 -107.26 -118.72 -123.86 -121.90 -120.88 -125.78 -120.84 -124.88 -137.24 -137.59 -127.48 -127.41 -129.04 -128.33 -131.17 -129.84 -126.94 -123.01 -125.48 -129.13 -137.13 -135.63 1390 Triethylamine -22.54 -22.57 -23.23 -23.08 -22.37 -17.98 -21.33 -20.91 -19.22 -19.69 -22.09 -22.07 -20.34 -21.72 -20.33 -22.24 -23.34 -23.52 -21.61 -21.63 -21.72 -21.09 -22.21 -21.74 -21.28 -21.72 -22.87 -24.01 -18.92 -20.42 1391 Trifluoroacetamide -207.96 -202.11 -203.31 -203.30 -207.48 -196.99 -199.27 -198.88 -195.80 -202.80 -202.98 -204.45 -203.41 -205.17 -202.90 -203.02 -207.00 -206.99 -205.63 -205.66 -204.59 -205.03 -205.43 -205.39 -205.78 -203.41 -203.50 -204.61 -197.33 -198.53 1392 Trifluoroacetic acid -244.20 -244.43 -245.39 -245.15 -250.10 -238.56 -239.22 -239.13 -237.22 -243.88 -243.38 -243.67 -244.33 -245.46 -244.10 -243.70 -249.54 -249.48 -246.91 -246.79 -246.36 -246.91 -247.45 -247.62 -246.44 -244.44 -244.21 -245.22 -239.07 -241.25 1393 (Trifluoromethyl)benzene -141.03 -143.12 -142.70 -140.57 -145.15 -140.88 -141.89 -141.78 -141.79 -142.51 -142.82 -143.22 -142.71 -143.41 -143.36 -143.59 -141.82 -141.82 -142.81 -143.02 -143.07 -143.74 -142.98 -143.04 -143.18 -142.87 -143.02 -142.99 -139.25 -137.45 1394 Trimethylaluminium -17.71 -13.23 -14.12 -14.31 -13.59 -25.59 -24.46 -25.15 -21.82 -18.68 -17.17 -20.07 -18.07 -17.20 -14.72 -13.52 -14.44 -14.42 -14.59 -14.67 -14.20 -12.27 -15.47 -14.78 -15.06 -15.49 -14.74 -13.40 -24.68 -19.94 1395 Trimethylsilane -39.05 -36.35 -36.55 -36.83 -36.50 -40.24 -40.92 -41.04 -40.00 -37.88 -38.51 -39.05 -37.61 -37.99 -37.24 -37.69 -35.67 -35.65 -37.65 -37.81 -38.04 -39.24 -37.72 -37.62 -36.63 -37.78 -38.16 -36.84 -39.15 -36.43 1396 Undecanenitrile -26.96 -27.65 -27.94 failed -24.33 -18.51 -21.41 -21.19 -18.66 -20.54 -22.56 -21.21 -21.11 -22.70 -20.72 -22.37 -24.96 -25.23 -26.78 -25.88 -26.34 -26.15 -25.85 -26.65 -23.18 -24.64 -25.53 -27.23 -24.13 -27.10 1397 Uracil -72.39 -70.30 -71.60 -70.47 -73.01 -58.62 -67.67 -66.63 -61.82 -70.06 -72.77 -76.82 -71.49 -77.79 -74.05 -76.10 -79.34 -79.35 -78.05 -78.00 -77.79 -77.61 -77.19 -76.31 -77.60 -70.70 -71.93 -74.31 -75.59 -74.18 1398 Urea -58.75 -54.56 -55.46 -56.60 -56.37 -47.10 -51.14 -50.38 -44.84 -55.23 -56.02 -58.51 -56.11 -58.81 -54.66 -55.24 -60.84 -60.83 -58.18 -58.34 -56.97 -57.11 -58.92 -58.49 -59.42 -56.12 -56.49 -58.10 -48.82 -51.27 1399 Valine -108.77 -110.30 -111.08 -111.96 -112.12 -95.76 -103.60 -102.88 -96.40 -103.74 -108.15 -108.04 -105.15 -110.25 -105.25 -108.64 -115.50 -115.62 -111.88 -111.97 -112.15 -112.34 -113.89 -113.50 -109.78 -107.39 -109.43 -111.62 -105.95 -105.12 1400 Ethenyl acetate -75.26 -74.78 -75.15 -74.72 -76.26 -75.33 -72.62 -72.18 -73.62 -77.36 -76.00 -74.22 -77.59 -74.78 -75.92 -74.87 -79.83 -79.79 -77.00 -76.64 -76.45 -76.13 -77.77 -77.68 -78.70 -75.58 -74.93 -75.82 -75.28 -75.79 1401 Ethenyl formate -62.62 -62.37 -62.51 -62.05 -63.63 -63.47 -59.73 -59.30 -61.59 -64.91 -63.41 -60.97 -65.01 -61.50 -63.31 -62.15 -66.92 -66.86 -63.51 -63.22 -63.08 -62.98 -64.60 -64.76 -65.58 -62.98 -62.27 -63.05 -62.04 -62.69 1402 Ethenyl pivalate -93.01 -93.78 -94.32 -92.99 -94.85 -86.16 -87.51 -86.92 -86.49 -89.43 -91.88 -88.35 -90.26 -89.92 -89.53 -91.45 -96.87 -97.04 -93.78 -93.47 -94.41 -94.09 -95.49 -94.94 -92.88 -90.91 -92.08 -93.60 -90.64 -91.87 1403 (2Z)-1,3-dichlorobut-2-ene -18.88 -18.58 -17.29 -17.21 -19.50 -22.40 -19.13 -19.16 -19.99 -20.23 -18.77 -17.93 -19.93 -17.19 -17.87 -16.78 -16.70 -16.69 -17.10 -17.46 -16.00 -15.43 -16.42 -17.25 -18.37 -18.54 -17.78 -17.75 -21.92 -23.22 1404 (1Z)-1,3-dichloroprop-1-ene -7.83 -8.33 -6.83 -7.02 -9.11 -13.45 -8.86 -8.91 -10.49 -11.07 -8.73 -7.83 -10.65 -7.03 -8.31 -6.54 -6.80 -6.75 -7.01 -7.40 -5.83 -5.06 -6.33 -7.34 -8.87 -8.65 -7.44 -7.56 -9.20 -9.86 1405 (1Z)-1-chloroprop-1-ene -0.90 -3.64 -2.72 -2.84 -3.39 -9.80 -5.25 -5.39 -6.59 -6.95 -4.54 -4.10 -6.43 -2.90 -3.91 -2.07 -2.59 -2.52 -2.61 -2.83 -1.37 -1.12 -2.26 -3.02 -4.46 -4.66 -3.47 -3.18 -3.48 -4.44 1406 (1Z)-1-fluoroprop-1-ene -44.01 -41.12 -41.00 -41.19 -41.47 -48.77 -43.71 -43.79 -45.34 -45.72 -43.40 -42.37 -45.12 -41.17 -42.45 -40.66 -40.85 -40.77 -40.74 -41.07 -39.62 -40.13 -40.73 -41.51 -42.94 -43.25 -42.16 -41.58 -41.33 -40.46 1407 (2Z)-but-2-enedinitrile 81.31 80.63 80.64 83.60 83.29 84.44 91.90 92.60 88.64 84.20 85.57 92.59 84.44 91.13 87.96 88.99 83.65 83.67 85.97 86.69 86.46 86.21 84.52 83.55 84.25 82.64 83.28 82.82 80.57 78.10 1408 Prop-2-en-1-ol -29.76 -30.31 -30.18 -30.63 -30.10 -32.15 -28.29 -28.11 -28.22 -32.06 -30.54 -28.63 -31.95 -28.69 -28.85 -27.67 -31.66 -31.57 -28.80 -28.89 -28.31 -28.61 -30.41 -30.81 -31.07 -30.64 -29.92 -30.04 -33.75 -34.17 1409 Butanal -49.12 -49.50 -49.75 -49.80 -49.75 -51.43 -48.88 -48.89 -49.12 -51.38 -50.37 -48.90 -51.26 -49.32 -49.58 -48.79 -50.61 -50.53 -50.79 -50.58 -50.12 -50.41 -50.64 -51.20 -50.89 -50.63 -50.12 -50.37 -46.70 -50.24 1410 3,4-Dihyrdro-2H-pyran -29.90 -27.84 -27.91 -27.59 -27.86 -24.48 -26.82 -26.64 -26.76 -26.83 -26.97 -28.44 -27.15 -28.92 -28.92 -29.01 -30.59 -30.51 -28.95 -28.92 -29.96 -29.40 -29.51 -28.88 -29.16 -26.73 -26.74 -27.30 -36.81 -34.54 1411 3-Methyl-2-butanone -62.75 -62.32 -62.77 -62.53 -62.55 -61.84 -60.82 -60.76 -60.02 -62.23 -62.60 -60.59 -62.31 -61.26 -60.73 -61.02 -63.15 -63.14 -63.43 -63.23 -62.98 -63.32 -63.41 -63.75 -62.55 -62.52 -62.68 -63.10 -62.39 -64.65 1412 Pentanal -54.61 -54.60 -54.86 -54.89 -54.57 -55.46 -53.85 -53.85 -53.49 -55.65 -55.10 -53.82 -55.64 -54.33 -54.14 -53.71 -55.47 -55.44 -56.00 -55.72 -55.33 -55.59 -55.66 -56.25 -55.52 -55.32 -55.02 -55.48 -51.58 -55.28 1413 Propoxyethylene -38.62 -38.30 -38.50 -38.45 -38.45 -40.67 -38.37 -38.05 -39.34 -40.57 -39.60 -38.33 -40.68 -38.02 -38.99 -38.26 -41.51 -41.49 -38.63 -38.46 -38.14 -37.82 -39.38 -39.42 -40.49 -39.30 -38.82 -39.46 -41.18 -40.95 1414 3,3-Dimethyloxetane -35.42 -34.97 -35.53 -34.90 -35.36 -29.90 -33.11 -33.24 -33.72 -31.98 -32.61 -34.69 -32.28 -35.22 -35.48 -35.97 -36.32 -36.28 -35.83 -35.92 -37.16 -36.46 -36.43 -35.60 -34.19 -32.90 -33.17 -34.12 -44.17 -39.12 1415 2-(Ethenyloxy)propane -41.54 -40.72 -41.04 -40.68 -40.99 -42.61 -40.20 -39.86 -40.79 -42.40 -41.64 -40.14 -42.55 -39.67 -40.40 -39.83 -43.10 -43.10 -40.46 -40.42 -40.26 -39.73 -41.61 -41.38 -42.45 -41.26 -40.91 -41.48 -41.97 -41.92 1416 2-Pentanol -74.63 -74.39 -74.84 -75.59 -74.82 -71.92 -72.71 -72.60 -70.12 -73.38 -73.76 -73.58 -73.70 -73.99 -72.08 -72.37 -76.30 -76.30 -74.11 -74.11 -73.84 -73.81 -75.07 -75.09 -74.10 -74.38 -74.53 -75.28 -76.44 -77.02 1417 2-Methyl-2-butanol -79.06 -78.76 -79.32 -79.59 -79.29 -73.36 -74.95 -74.79 -71.92 -75.18 -76.78 -75.46 -75.68 -76.31 -74.09 -75.33 -80.07 -80.08 -77.31 -77.26 -77.37 -77.31 -78.87 -78.62 -76.65 -77.30 -78.04 -79.05 -78.19 -78.57 1418 1-Methoxybutane -61.69 -61.36 -62.02 -62.27 -62.46 -62.16 -61.24 -60.99 -62.00 -63.02 -62.31 -61.93 -63.22 -61.98 -62.66 -62.13 -64.68 -64.68 -61.93 -61.74 -61.83 -61.42 -62.35 -62.18 -63.24 -62.69 -62.34 -63.10 -62.20 -62.02 1419 2-Hexanone -66.88 -66.65 -67.08 -67.08 -66.62 -66.18 -65.95 -65.91 -64.56 -66.79 -67.15 -65.81 -66.94 -66.48 -65.49 -65.79 -67.70 -67.74 -68.60 -68.30 -67.98 -68.15 -68.16 -68.54 -67.35 -67.03 -67.18 -67.79 -67.59 -69.61 1420 3,3-Dimethyl-2-butanone -69.47 -69.63 -70.09 -69.34 -69.56 -64.51 -65.55 -65.42 -63.82 -65.52 -68.09 -64.73 -65.92 -66.09 -64.87 -66.86 -69.58 -69.64 -69.28 -69.02 -69.35 -69.85 -69.92 -70.13 -66.97 -67.60 -68.81 -69.68 -67.98 -70.22 1421 3-Hexanone -66.52 -66.57 -67.62 -67.21 -67.32 -66.45 -66.15 -66.13 -64.91 -67.12 -67.15 -66.09 -67.24 -66.80 -65.92 -65.94 -67.98 -67.99 -68.86 -68.48 -68.10 -68.27 -68.23 -68.59 -67.68 -67.22 -67.20 -67.71 -65.87 -68.71 1422 2-Methyl-3-pentanone -68.38 -67.70 -68.21 -67.94 -67.78 -65.92 -65.94 -65.89 -64.61 -66.63 -67.59 -65.62 -66.82 -66.49 -65.54 -66.29 -68.40 -68.45 -68.92 -68.69 -68.57 -68.83 -68.80 -69.04 -67.40 -67.45 -67.89 -68.41 -65.36 -68.71 1423 Phenylmethanol -22.79 -23.77 -22.97 -21.77 -22.54 -20.51 -21.89 -21.58 -20.25 -22.85 -23.74 -23.29 -23.19 -23.87 -22.76 -23.42 -24.49 -24.48 -22.95 -23.19 -23.42 -24.06 -24.41 -24.44 -23.82 -23.11 -23.51 -23.66 -24.33 -24.96 1424 2-Methylphenol -30.73 -31.23 -30.69 -29.27 -30.16 -28.70 -31.14 -30.92 -28.51 -30.80 -31.76 -32.73 -31.14 -32.65 -30.74 -31.46 -32.63 -32.62 -31.13 -31.47 -31.38 -31.92 -32.41 -32.24 -31.85 -31.01 -31.46 -31.49 -29.15 -30.78 1425 3-Methylphenol -31.62 -30.61 -30.07 -28.75 -29.42 -28.65 -30.93 -30.73 -28.28 -30.73 -31.50 -32.64 -31.03 -32.50 -30.56 -31.14 -32.12 -32.10 -30.88 -31.23 -31.04 -31.66 -32.05 -31.98 -31.67 -30.68 -31.03 -31.07 -31.98 -32.26 1426 Bicyclo[2.2.1]heptan-2-one -40.77 -40.45 -40.61 -39.40 -40.01 -25.27 -35.65 -36.15 -33.17 -30.57 -33.66 -39.01 -31.22 -40.98 -38.60 -40.95 -38.23 -38.20 -41.69 -41.89 -45.02 -44.47 -42.56 -41.33 -36.31 -34.76 -36.14 -37.11 -41.71 -40.28 1427 8-Oxatricyclo[3.2.1.0(1,5)]octane 6.43 8.16 7.63 9.21 8.17 21.98 8.98 7.83 9.37 17.67 16.50 4.90 17.15 4.53 5.84 4.95 6.83 6.85 4.48 4.73 1.67 4.19 4.92 7.69 11.83 14.23 13.72 12.86 13.53 18.30 1428 Heptanal -63.05 -64.76 -65.04 -65.04 -64.15 -63.43 -63.69 -63.68 -62.15 -64.10 -64.48 -63.54 -64.30 -64.28 -63.16 -63.48 -65.04 -65.11 -66.33 -65.92 -65.71 -65.88 -65.65 -66.28 -64.69 -64.61 -64.74 -65.60 -61.59 -65.45 1429 2,2-Dimethyl-3-pentanone -74.98 -74.77 -75.29 -74.50 -74.56 -68.16 -70.30 -70.16 -68.09 -69.51 -72.78 -69.33 -70.02 -70.95 -69.34 -71.89 -74.56 -74.72 -74.44 -74.18 -74.68 -75.07 -75.05 -75.15 -71.43 -72.18 -73.72 -74.72 -71.03 -74.40 1430 2,4-Dimethyl-3-pentanone -74.42 -73.93 -74.52 -73.77 -73.68 -69.02 -70.43 -70.31 -68.44 -70.09 -72.69 -69.74 -70.49 -70.97 -69.53 -71.57 -73.68 -73.84 -74.07 -73.99 -74.22 -74.53 -74.37 -74.52 -71.52 -72.17 -73.41 -74.16 -70.26 -74.16 1431 (Ethenyloxy)benzene 5.43 3.79 4.63 6.67 5.19 2.91 3.24 3.76 2.79 2.15 1.99 2.78 1.88 3.29 2.64 2.51 1.95 1.94 3.72 3.52 3.37 3.33 2.36 2.53 1.48 3.83 3.76 3.55 5.05 4.00 1432 2-Ethylphenol -34.70 -36.21 -35.72 -34.02 -34.96 -31.73 -35.18 -34.92 -32.06 -34.12 -36.12 -36.56 -34.61 -36.73 -34.45 -35.99 -36.91 -36.99 -35.63 -36.04 -36.18 -36.67 -37.01 -36.76 -35.59 -35.15 -36.11 -36.26 -33.55 -35.45 1433 3-Ethylphenol -34.92 -35.84 -35.36 -33.75 -34.42 -32.19 -35.40 -35.17 -32.25 -34.50 -36.20 -36.94 -34.92 -36.99 -34.68 -35.99 -36.70 -36.76 -35.71 -36.15 -36.09 -36.72 -36.89 -36.82 -35.77 -35.18 -35.99 -36.07 -35.85 -36.89 1434 2,4-Dimethylphenol -38.93 -38.58 -38.12 -36.27 -37.46 -34.64 -38.32 -38.12 -34.86 -36.89 -38.69 -39.83 -37.32 -39.73 -37.15 -38.53 -39.39 -39.46 -38.18 -38.56 -38.57 -39.21 -39.40 -39.14 -38.26 -37.75 -38.61 -38.61 -38.41 -39.98 1435 2,5-Dimethylphenol -38.62 -38.94 -38.51 -36.71 -38.24 -35.05 -38.75 -38.55 -35.27 -37.35 -39.14 -40.29 -37.79 -40.21 -37.62 -39.00 -39.86 -39.92 -38.68 -39.04 -39.06 -39.70 -39.89 -39.63 -38.75 -38.19 -39.05 -39.06 -39.56 -40.63 1436 3,4-Dimethylphenol -37.42 -38.25 -37.77 -36.12 -36.94 -34.05 -38.00 -37.80 -34.42 -36.40 -38.60 -39.39 -36.87 -39.46 -36.79 -38.48 -39.33 -39.40 -38.05 -38.41 -38.43 -39.22 -39.30 -39.20 -37.88 -37.36 -38.41 -38.54 -39.49 -40.47 1437 3,5-Dimethylphenol -38.60 -38.45 -38.09 -36.31 -37.67 -35.07 -38.62 -38.43 -35.10 -37.37 -39.01 -40.27 -37.78 -40.15 -37.53 -38.79 -39.47 -39.54 -38.57 -38.94 -38.85 -39.58 -39.66 -39.52 -38.69 -37.95 -38.74 -38.78 -43.00 -42.42 1438 1,2-Ethanediol -93.17 -92.42 -92.97 -94.34 -94.76 -88.06 -87.75 -87.39 -85.42 -92.29 -91.85 -90.96 -92.74 -92.39 -90.88 -90.52 -98.09 -98.01 -92.12 -92.11 -92.09 -92.24 -94.41 -94.25 -93.93 -92.57 -92.35 -93.28 -95.97 -95.52 1439 (Methylperoxy)methane -30.04 -28.20 -29.26 -28.97 -31.67 -33.08 -29.55 -29.20 -32.95 -32.33 -31.10 -28.15 -32.38 -28.90 -31.62 -30.68 -33.09 -33.03 -28.43 -28.49 -29.63 -29.09 -30.63 -29.94 -31.64 -29.63 -29.09 -29.27 -23.62 -27.88 1440 Propanoic acid -110.50 -107.41 -108.02 -108.58 -109.35 -104.73 -104.50 -104.32 -102.50 -108.28 -107.70 -107.39 -108.59 -108.50 -107.17 -106.71 -112.25 -112.18 -109.98 -109.78 -109.31 -109.53 -110.68 -110.79 -110.11 -108.36 -108.07 -108.92 -105.16 -106.72 1441 Cyclobutane-1,3-dione -44.53 -43.42 -43.64 -42.94 -44.50 -41.74 -42.75 -43.01 -42.09 -44.39 -43.39 -44.95 -44.43 -46.30 -45.76 -44.98 -46.17 -46.08 -49.16 -49.06 -49.13 -49.10 -48.33 -48.42 -46.57 -43.07 -42.56 -43.49 -60.68 -55.28 1442 2,3-Butanedione -78.18 -78.09 -78.65 -78.16 -79.53 -77.29 -74.67 -74.44 -74.61 -79.28 -78.79 -75.26 -79.42 -77.16 -77.39 -77.00 -81.09 -81.03 -81.27 -80.65 -80.60 -81.06 -81.10 -81.53 -80.54 -78.39 -78.14 -78.88 -77.81 -82.11 1443 2-Methyl-1,3-dioxolane -83.89 -82.35 -83.46 -83.17 -85.67 -74.46 -77.99 -77.59 -79.47 -80.45 -80.32 -82.35 -81.23 -83.99 -85.22 -85.11 -88.74 -88.69 -84.04 -84.00 -86.36 -84.73 -85.79 -84.08 -84.95 -81.04 -80.94 -82.46 -93.98 -89.45 1444 (Ethylperoxy)ethane -46.08 -43.98 -45.25 -44.98 -47.10 -47.44 -45.56 -45.19 -47.73 -47.22 -46.13 -44.32 -47.49 -45.05 -46.84 -46.01 -48.56 -48.58 -44.92 -44.69 -46.03 -44.93 -46.64 -45.64 -47.38 -45.27 -44.77 -45.29 -36.50 -41.60 1445 2-Furanmethanol -50.62 -51.70 -51.83 -51.28 -52.84 -45.60 -48.95 -48.74 -47.90 -50.13 -49.64 -52.93 -50.69 -53.35 -52.58 -52.20 -57.20 -57.15 -53.12 -53.30 -54.07 -53.16 -55.07 -53.94 -53.80 -50.38 -50.13 -51.06 -55.38 -52.75 1446 Methyl (2E)-but-2-enoate -81.72 -81.03 -81.68 -80.94 -82.57 -81.31 -79.16 -78.65 -80.40 -83.48 -82.62 -80.36 -83.77 -81.23 -82.56 -81.90 -85.84 -85.83 -83.38 -82.81 -82.90 -82.76 -83.81 -83.72 -84.75 -82.08 -81.67 -82.62 -82.24 -81.52 1447 4-Methyl-1,3-dioxane -90.08 -90.55 -91.63 -91.25 -93.55 -79.85 -85.06 -84.51 -85.06 -86.38 -87.91 -88.90 -87.47 -91.00 -91.20 -92.36 -96.94 -96.93 -91.89 -91.55 -94.25 -92.66 -93.54 -91.77 -91.86 -88.13 -88.80 -90.80 -99.22 -94.55 1448 (2S,4R)-2,4-dimethyl-1,3-dioxolane -91.44 -92.33 -93.56 -93.06 -95.55 -82.74 -87.35 -86.93 -87.86 -89.08 -89.65 -91.78 -90.04 -93.42 -93.93 -94.37 -98.09 -98.10 -93.82 -93.76 -96.36 -94.50 -95.70 -93.73 -94.23 -90.40 -90.65 -92.36 -102.87 -98.31 1449 2,2-Dimethoxypropane -102.68 -102.34 -103.76 -102.98 -105.82 -94.23 -95.72 -94.91 -96.61 -98.80 -100.93 -97.30 -99.80 -99.33 -100.42 -102.09 -109.11 -109.20 -101.77 -101.65 -103.14 -101.90 -104.24 -102.77 -102.58 -100.52 -101.55 -103.47 -109.13 -105.60 1450 1,5-Pentanediol -107.34 -105.99 -106.55 -107.89 -107.46 -98.72 -101.24 -100.86 -97.04 -103.48 -104.71 -104.02 -104.24 -105.79 -102.84 -103.80 -110.99 -111.04 -106.16 -106.16 -106.24 -106.35 -107.96 -107.95 -106.05 -104.99 -105.54 -107.19 -112.54 -112.39 1451 Diethoxymethane -99.14 -99.47 -100.78 -100.67 -102.69 -96.32 -96.37 -95.67 -97.86 -100.17 -99.99 -98.72 -100.90 -99.73 -101.26 -101.15 -106.59 -106.67 -100.59 -100.36 -101.38 -100.12 -102.07 -100.95 -102.73 -100.17 -100.10 -101.69 -105.15 -102.17 1452 1,3-Benzenediol -65.65 -64.42 -64.15 -63.60 -64.83 -59.38 -63.33 -62.93 -58.75 -64.52 -65.54 -67.32 -65.21 -67.97 -64.72 -65.47 -70.24 -70.20 -66.19 -66.62 -66.47 -66.99 -68.30 -67.96 -67.27 -64.39 -64.85 -65.65 -68.32 -68.41 1453 Ethyl (2E)-but-2-enoate -89.77 -88.82 -89.53 -88.82 -90.31 -88.45 -87.08 -86.57 -87.67 -90.87 -90.16 -88.39 -91.27 -89.22 -90.06 -89.53 -93.39 -93.41 -91.53 -90.88 -91.04 -90.66 -91.75 -91.54 -92.55 -89.79 -89.44 -90.53 -89.43 -89.18 1454 Methyl 2,2-dimethylpropanoate -118.14 -116.27 -117.32 -116.28 -118.43 -107.47 -109.78 -109.26 -109.11 -111.63 -114.29 -111.19 -112.47 -113.25 -113.01 -115.08 -120.14 -120.28 -116.77 -116.45 -117.66 -117.36 -118.20 -117.43 -115.36 -114.15 -115.41 -116.96 -112.42 -112.48 1455 Butyl acetate -116.06 -115.26 -116.24 -116.01 -117.32 -111.56 -112.55 -112.13 -112.05 -115.24 -115.46 -114.65 -115.83 -115.91 -115.78 -115.99 -120.23 -120.33 -118.38 -117.94 -118.29 -117.66 -118.47 -118.05 -118.05 -115.78 -115.87 -117.29 -115.34 -114.32 1456 2-Methoxyoxane -95.51 -93.81 -95.01 -94.47 -96.77 -81.83 -87.97 -87.37 -87.34 -88.84 -91.07 -91.79 -90.07 -94.15 -93.88 -95.61 -100.34 -100.43 -95.39 -95.05 -97.89 -96.11 -97.00 -95.04 -94.79 -91.07 -92.09 -94.33 -100.33 -95.62 1457 4,5-Dimethyl-1,3-dioxane -97.78 -96.75 -97.86 -96.99 -99.54 -82.33 -89.26 -88.66 -88.51 -89.40 -92.79 -92.63 -90.72 -95.30 -94.93 -97.56 -102.41 -102.50 -97.03 -96.81 -99.96 -98.31 -99.20 -97.23 -95.75 -92.53 -94.10 -96.48 -102.70 -98.71 1458 1,2-Diethoxyethane -97.56 -98.07 -99.30 -99.38 -101.23 -95.16 -95.35 -94.63 -96.45 -99.27 -98.71 -97.97 -100.08 -98.98 -100.21 -99.81 -105.23 -105.31 -99.77 -99.22 -100.40 -99.02 -100.80 -99.70 -102.00 -99.05 -98.78 -100.63 -100.02 -98.74 1459 1,1-Diethoxyethane -108.39 -107.68 -109.14 -108.90 -111.03 -102.79 -103.97 -103.25 -104.44 -107.08 -107.55 -106.39 -108.01 -107.49 -108.25 -108.67 -114.26 -114.43 -108.73 -108.47 -109.71 -108.03 -110.39 -108.90 -110.33 -107.76 -108.01 -109.82 -109.01 -107.27 1460 Benzoic acid -70.29 -71.42 -70.93 -69.26 -71.45 -65.59 -67.88 -67.40 -65.65 -70.39 -71.66 -70.87 -71.04 -72.32 -70.92 -71.87 -74.15 -74.15 -73.09 -72.84 -73.33 -74.02 -74.18 -74.11 -73.16 -70.85 -71.43 -72.18 -64.72 -66.07 1461 2-Hydroxy-2,4,6-cycloheptatriene-1-one -37.14 -37.54 -37.04 -35.67 -37.52 -40.61 -42.97 -42.40 -39.92 -41.30 -42.94 -42.96 -41.70 -42.08 -40.14 -41.37 -39.79 -39.80 -38.16 -38.74 -38.24 -38.75 -39.26 -39.27 -40.45 -39.84 -40.60 -40.75 -35.80 -34.95 1462 Phenyl formate -51.58 -52.53 -52.61 -50.19 -52.97 -49.41 -50.58 -49.98 -50.95 -53.12 -53.95 -52.72 -53.69 -53.71 -54.34 -54.97 -56.63 -56.62 -54.78 -54.55 -55.18 -55.37 -55.58 -55.35 -55.62 -52.64 -53.01 -53.80 -50.96 -51.72 1463 (2E)-3-(furan-2-yl)prop-2-enal -25.31 -24.81 -24.57 -22.22 -24.56 -25.64 -26.20 -25.91 -27.08 -26.85 -26.10 -27.50 -27.08 -26.90 -27.76 -27.19 -27.71 -27.69 -26.09 -26.14 -26.50 -26.01 -26.94 -26.59 -27.52 -24.97 -24.59 -25.29 -21.80 -21.81 1464 Ethyl pentenoate -92.16 -90.34 -90.84 -90.20 -91.23 -85.99 -86.14 -85.59 -85.83 -89.26 -90.04 -87.29 -89.91 -88.89 -89.05 -89.67 -94.59 -94.69 -92.59 -91.95 -92.40 -92.01 -93.03 -92.86 -92.18 -89.33 -89.67 -91.13 -91.51 -91.02 1465 Ethyl (3Z)-3-pentenoate -92.64 -90.91 -91.50 -90.66 -92.02 -88.12 -87.91 -87.41 -87.77 -90.92 -91.19 -89.13 -91.45 -90.27 -90.54 -90.79 -94.78 -94.92 -93.21 -92.75 -92.99 -92.57 -93.48 -93.26 -93.26 -90.60 -90.75 -91.95 -94.87 -94.79 1466 Ethyl (3E)-3-pentenoate -93.26 -92.10 -92.79 -91.88 -93.20 -89.55 -89.15 -88.66 -89.04 -92.36 -92.29 -90.54 -92.86 -91.58 -91.87 -91.85 -96.03 -96.16 -94.46 -93.92 -94.21 -93.76 -94.72 -94.47 -94.68 -91.93 -91.91 -93.05 -95.77 -95.08 1467 Ethyl (2E)-2-pentenoate -94.24 -93.50 -94.24 -93.46 -94.79 -92.13 -91.55 -91.02 -91.72 -94.73 -94.51 -92.78 -95.22 -93.71 -94.22 -94.07 -97.65 -97.72 -96.17 -95.50 -95.77 -95.40 -96.27 -96.08 -96.68 -94.12 -94.00 -95.18 -94.77 -93.82 1468 Propyl (2E)-2-Butenoate -94.46 -93.62 -94.32 -93.65 -94.85 -92.24 -91.78 -91.25 -91.81 -94.92 -94.63 -93.07 -95.42 -94.00 -94.41 -94.21 -98.01 -98.08 -96.50 -95.79 -96.02 -95.61 -96.52 -96.33 -96.96 -94.22 -94.07 -95.36 -94.44 -94.31 1469 Isopropyl (2E)-2-Butenoate -98.26 -97.82 -98.64 -97.68 -99.19 -95.07 -95.03 -94.46 -94.68 -97.83 -98.35 -96.11 -98.44 -97.13 -97.28 -97.71 -101.66 -101.77 -100.05 -99.45 -99.87 -99.34 -100.51 -100.08 -100.25 -97.76 -98.00 -99.28 -98.52 -97.84 1470 Trimethoxymethane -127.13 -126.23 -128.02 -127.43 -131.57 -117.29 -118.42 -117.31 -121.08 -124.67 -125.78 -122.51 -125.93 -125.18 -127.76 -128.64 -137.76 -137.84 -127.08 -126.79 -128.97 -127.33 -130.19 -128.32 -129.61 -125.31 -125.86 -128.39 -132.64 -126.09 1471 1,3,6-Trioxacyclooctane -111.64 -110.98 -112.46 -111.76 -115.87 -96.85 -102.75 -101.56 -103.69 -106.34 -109.35 -107.39 -108.04 -111.04 -112.32 -114.63 -122.72 -122.77 -113.47 -112.99 -116.57 -114.39 -115.93 -113.53 -113.99 -107.99 -109.38 -112.62 -127.66 -120.77 1472 1,1,1-Trimethoxyethane -136.88 -135.71 -137.76 -136.63 -141.21 -123.08 -125.79 -124.56 -127.58 -131.20 -133.86 -129.49 -132.74 -132.75 -134.73 -136.83 -146.79 -146.98 -135.89 -135.67 -138.19 -136.09 -139.49 -137.00 -137.39 -133.14 -134.45 -137.18 -144.28 -138.94 1473 Butanedioic acid -196.70 -194.15 -195.25 -195.83 -198.31 -182.00 -185.96 -185.39 -180.41 -191.76 -193.05 -192.50 -192.99 -195.94 -192.21 -193.19 -203.93 -203.93 -199.96 -199.31 -199.48 -199.74 -201.21 -201.03 -198.24 -193.27 -193.85 -196.35 -192.63 -194.35 1474 1,3,5,7-Tetroxane -148.23 -148.61 -150.58 -149.91 -155.44 -132.58 -139.23 -137.86 -140.65 -144.51 -147.19 -146.04 -146.52 -149.99 -151.76 -153.83 -164.17 -164.19 -152.44 -151.87 -155.42 -153.02 -155.17 -152.50 -153.66 -145.86 -147.12 -150.98 -167.67 -155.44 1475 (2R,3S)-1,2,3,4-butanetetrol -185.28 -182.77 -184.05 -185.70 -187.52 -162.34 -168.72 -167.62 -160.69 -174.61 -178.14 -175.59 -176.59 -180.29 -174.90 -177.61 -193.71 -193.78 -182.44 -181.90 -183.55 -183.13 -186.98 -185.65 -182.55 -178.37 -180.01 -183.27 -191.26 -189.67 1476 3-Butenenitrile 37.72 39.38 39.65 40.89 41.88 40.09 46.11 46.40 43.85 40.63 42.39 46.63 40.92 45.95 43.89 45.23 41.37 41.43 42.25 42.77 42.89 42.72 41.38 40.59 40.96 40.52 41.36 41.24 39.34 37.58 1477 2-Methylpropanenitrile 5.64 6.77 6.54 7.41 7.94 9.33 12.82 13.03 11.51 8.91 9.67 12.73 9.04 11.89 10.69 11.28 7.94 8.00 8.86 9.29 9.27 9.04 8.31 7.75 8.60 7.29 7.66 7.42 10.00 7.97 1478 Cyclobutylamine 9.85 10.47 10.41 9.74 11.43 15.69 10.50 10.27 13.71 12.89 12.69 7.23 12.59 7.79 10.38 10.25 9.83 9.89 8.94 8.77 9.02 9.60 9.02 9.71 10.75 11.58 11.53 10.79 -1.41 2.43 1479 2-Methylpropylamine -23.60 -23.10 -23.23 -24.15 -22.45 -19.64 -21.61 -21.41 -18.04 -21.49 -22.42 -23.26 -21.85 -22.93 -20.37 -21.08 -23.62 -23.60 -22.21 -22.24 -21.63 -21.73 -22.94 -22.89 -22.33 -22.98 -23.40 -24.08 -19.45 -19.70 1480 (1E)-2-pentenenitrile 28.63 30.54 30.59 32.04 32.88 30.21 34.91 35.20 33.42 30.99 32.14 35.81 31.23 35.43 33.96 34.83 31.96 32.00 32.74 33.23 33.67 33.32 32.38 31.46 31.71 30.85 31.41 31.18 31.16 28.97 1481 (1E)-3-pentenenitrile 30.02 31.50 31.66 32.94 34.08 32.11 37.05 37.30 35.52 32.55 34.10 37.53 32.79 36.99 35.51 36.70 33.20 33.22 33.62 34.21 34.47 34.25 33.21 32.41 32.73 32.33 33.07 32.94 29.67 27.80 1482 Cyclopentylamine -13.12 -12.18 -12.24 -13.11 -11.27 -3.28 -10.25 -10.28 -5.62 -7.43 -9.10 -13.66 -8.03 -13.94 -10.31 -11.58 -11.96 -11.95 -12.63 -12.87 -13.60 -13.07 -13.29 -12.46 -10.79 -10.14 -10.87 -11.68 -14.88 -12.82 1483 Bicyclo[2.1.0]pentane-1-carbonitrile 65.03 66.30 66.05 68.37 68.51 75.18 70.32 69.60 68.86 72.73 73.19 67.66 72.71 67.16 66.54 66.89 65.60 65.65 64.24 65.31 63.97 65.18 65.77 66.66 69.46 69.90 70.15 69.34 62.42 67.94 1484 3-Methylidenecyclobutane-1-carbonitrile 60.35 59.93 60.18 62.38 62.87 64.92 65.41 65.31 64.32 64.14 64.73 64.76 64.23 64.12 63.27 63.71 62.43 62.47 60.64 61.02 60.51 60.85 60.60 60.55 62.52 63.09 63.38 62.91 46.89 50.23 1485 Cyclopent-1-ene-1-carbonitrile 37.40 37.76 37.85 39.68 40.36 43.53 43.08 43.12 42.51 42.10 42.24 42.21 42.10 41.37 40.86 40.97 40.70 40.74 39.55 39.74 38.78 38.86 39.12 39.04 40.45 40.31 40.40 40.18 34.60 34.36 1486 2,5-Dimethyl-1H-pyrrole 9.51 8.97 8.96 10.19 10.13 12.77 7.36 7.35 10.38 10.01 9.84 3.51 9.69 5.35 7.77 7.64 7.73 7.73 7.65 7.11 7.80 8.42 7.68 8.60 7.60 9.07 8.98 8.97 5.48 7.54 1487 2-Methylpiperidine -20.17 -20.18 -20.55 -20.48 -19.30 -8.92 -16.98 -16.80 -12.31 -13.67 -16.79 -20.04 -14.57 -20.66 -17.12 -19.53 -20.31 -20.37 -20.29 -20.16 -21.48 -20.65 -20.58 -19.56 -17.99 -17.14 -18.55 -19.92 -18.42 -16.06 1488 Diisopropylamine -34.39 -32.05 -32.56 -32.68 -31.25 -25.85 -29.72 -29.38 -25.91 -28.02 -30.66 -30.80 -28.71 -30.65 -27.96 -30.03 -32.05 -32.20 -30.85 -30.80 -30.73 -30.33 -31.52 -31.16 -29.95 -30.61 -31.84 -33.03 -32.38 -30.69 1489 2,3-Dimethylpyridine 16.32 14.78 15.12 17.24 16.43 18.61 15.26 15.58 16.68 16.32 14.60 13.57 15.92 13.93 14.88 13.57 15.47 15.42 15.00 14.79 14.58 14.30 14.71 14.98 14.83 15.34 14.54 14.50 14.94 12.80 1490 2,4-Dimethylpyridine 15.27 14.25 14.49 16.64 15.98 17.27 14.34 14.65 15.66 14.99 13.83 12.35 14.65 12.89 13.76 12.88 14.97 14.94 14.10 13.93 13.75 13.54 13.98 14.29 13.64 14.38 13.84 13.85 12.34 11.44 1491 2,5-Dimethylpyridine 15.89 14.90 15.20 17.44 16.59 17.92 15.00 15.30 16.29 15.74 14.63 13.06 15.42 13.66 14.52 13.67 15.76 15.73 14.99 14.79 14.66 14.45 14.87 15.19 14.49 15.11 14.59 14.64 14.27 12.52 1492 2,6-Dimethylpyridine 14.03 13.11 13.33 15.36 14.81 16.03 13.17 13.49 14.54 13.71 12.68 11.14 13.37 11.69 12.59 11.81 13.78 13.74 12.79 12.72 12.50 12.42 12.70 13.10 12.28 13.11 12.63 12.64 12.66 12.03 1493 3,4-Dimethylpyridine 16.74 15.55 15.95 18.13 17.29 19.56 16.15 16.47 17.52 17.24 15.40 14.47 16.85 14.80 15.71 14.30 16.29 16.24 15.93 15.65 15.48 15.06 15.64 15.81 15.82 16.25 15.38 15.29 14.90 12.42 1494 3,5-Dimethylpyridine 17.40 16.43 16.80 19.17 18.08 19.62 16.61 16.91 17.87 17.52 16.26 14.76 17.21 15.36 16.21 15.25 17.42 17.38 16.85 16.52 16.48 16.14 16.68 16.90 16.39 16.86 16.27 16.33 14.64 12.32 1495 Cyclohexanecarbonitrile 1.15 1.53 1.39 2.93 3.81 15.34 10.79 10.94 12.57 11.33 8.01 9.61 10.76 7.06 8.38 5.81 3.80 3.76 3.07 3.56 1.57 1.74 2.68 2.80 6.94 6.35 4.81 3.63 3.61 3.33 1496 1-Azabicyclo[2.2.2]octane -1.00 -0.07 -0.45 0.49 0.68 19.35 5.72 5.80 9.60 12.45 6.86 1.77 11.28 0.11 3.33 -0.97 1.29 1.25 0.90 0.50 -3.39 -2.14 -0.65 1.32 5.23 6.82 4.25 2.71 -11.43 -7.20 1497 Heptanenitrile -7.41 -7.28 -7.53 -6.82 -5.17 -2.58 -1.72 -1.52 -1.33 -3.64 -3.80 -1.76 -3.78 -2.80 -2.67 -2.82 -5.78 -5.85 -6.11 -5.47 -5.56 -5.56 -5.85 -6.59 -4.84 -6.05 -6.09 -6.97 -4.15 -6.70 1498 Methylhydrazine 22.61 23.16 22.89 21.49 22.88 26.41 24.12 24.58 28.01 22.41 22.08 20.01 21.92 20.54 23.17 22.93 19.79 19.81 22.74 22.39 23.16 23.17 21.58 22.02 20.76 22.40 22.24 21.58 14.06 14.43 1499 1,1-Dimethylhydrazine 20.05 20.40 19.91 19.18 19.87 24.90 21.83 22.39 25.17 20.89 19.88 18.07 20.20 18.66 20.83 20.08 17.00 17.03 20.40 20.34 20.54 20.88 19.30 20.04 18.68 20.33 19.86 18.85 13.26 12.82 1500 (1E)-Butenendinitrile 81.31 79.82 79.78 82.80 82.42 83.38 90.90 91.60 87.57 83.10 84.73 91.48 83.36 90.06 86.84 88.07 82.73 82.75 85.02 85.76 85.59 85.37 83.68 82.66 83.18 81.74 82.52 81.94 79.75 77.58 1501 1,2-Butanediamine -17.69 -15.43 -15.61 -17.15 -14.93 -5.06 -11.25 -10.64 -4.13 -10.75 -13.83 -15.27 -11.75 -15.63 -10.66 -13.04 -17.61 -17.67 -14.65 -14.99 -14.26 -14.30 -16.10 -15.75 -14.19 -13.74 -15.18 -16.70 -14.91 -13.26 1502 Phenylhydrazine 48.56 49.40 49.92 50.52 51.11 55.78 48.85 49.56 54.77 50.15 47.49 44.29 49.23 44.84 48.92 46.90 46.45 46.39 47.83 47.38 47.77 47.42 46.92 47.48 46.78 49.57 48.33 47.52 41.85 43.65 1503 1,1,4,4-Tetramethyl-2-tetrazene 64.70 66.91 65.45 66.57 65.56 77.42 66.60 67.73 70.87 70.29 66.00 61.20 68.66 62.64 65.29 61.96 61.44 61.19 64.90 65.10 64.26 66.09 65.51 67.95 64.47 68.47 66.42 64.75 54.97 51.68 1504 5-Methylisoxazole 8.15 8.34 7.96 9.03 7.80 11.61 7.90 7.88 7.56 9.27 9.82 5.22 8.97 5.92 5.81 6.25 6.47 6.51 6.55 6.46 5.53 6.62 6.02 7.20 6.52 9.13 9.41 9.12 12.48 11.36 1505 3-Methylisoxazole 8.51 9.21 8.85 9.87 8.81 12.62 8.89 8.87 8.55 10.30 10.76 6.27 10.00 6.93 6.82 7.18 7.44 7.49 7.50 7.48 6.48 7.49 6.96 8.11 7.54 10.12 10.35 10.09 13.07 13.23 1506 2-Methyl-2-oxazoline -31.19 -29.65 -30.33 -29.88 -30.87 -22.56 -26.86 -26.58 -27.16 -27.74 -27.66 -31.22 -28.30 -31.84 -32.16 -32.09 -33.33 -33.30 -31.68 -31.65 -33.05 -31.85 -32.19 -30.89 -31.73 -28.29 -28.23 -29.24 -32.78 -32.17 1507 2-Pyridinol -19.05 -17.76 -17.67 -16.53 -17.77 -12.46 -16.19 -15.67 -13.69 -17.68 -18.36 -20.66 -18.32 -20.81 -19.21 -19.70 -21.58 -21.54 -19.29 -19.57 -19.66 -19.67 -20.51 -19.96 -20.60 -17.82 -18.11 -18.79 -14.83 -17.12 1508 3-Pyridinol -10.44 -8.27 -8.03 -6.80 -8.70 -3.53 -6.95 -6.43 -4.58 -8.26 -8.99 -10.94 -8.83 -11.02 -9.51 -10.04 -11.90 -11.85 -9.17 -9.61 -9.61 -9.73 -10.49 -10.05 -10.66 -8.26 -8.56 -9.23 -8.51 -10.63 1509 4-Pyridinol -9.75 -10.50 -10.32 -9.20 -10.52 -5.47 -8.98 -8.46 -6.70 -10.51 -11.25 -13.19 -11.12 -13.44 -12.01 -12.54 -14.37 -14.33 -11.88 -12.23 -12.34 -12.45 -13.14 -12.68 -13.16 -10.53 -10.84 -11.60 -12.20 -14.01 1510 3,5-Dimethylisoxazole -4.28 -1.67 -2.29 -1.02 -2.29 2.19 -2.51 -2.53 -2.08 -0.48 -0.38 -5.37 -0.87 -4.63 -4.13 -4.05 -3.45 -3.45 -3.99 -4.04 -5.00 -3.90 -4.23 -2.92 -3.60 -0.88 -0.83 -1.08 2.21 1.92 1511 2-Ethyl-2-oxazoline -35.59 -34.11 -34.87 -34.31 -35.23 -25.79 -30.94 -30.63 -30.84 -31.21 -31.73 -35.19 -31.88 -35.97 -35.97 -36.37 -37.43 -37.45 -36.06 -36.06 -37.62 -36.34 -36.53 -35.15 -35.55 -32.32 -32.54 -33.68 -36.91 -36.79 1512 Pentanamide -69.36 -70.13 -70.95 -71.58 -71.02 -65.62 -68.92 -68.49 -64.24 -70.17 -71.23 -72.48 -70.82 -72.83 -69.62 -70.44 -73.82 -73.87 -73.63 -73.43 -72.58 -72.65 -73.29 -73.28 -73.01 -71.18 -71.65 -73.02 -68.54 -70.86 1513 2-Methyl-3-hydroxypyridine -20.17 -18.17 -18.13 -16.57 -18.51 -11.89 -16.65 -16.13 -13.32 -16.84 -18.43 -20.53 -17.56 -20.61 -18.36 -19.56 -21.41 -21.43 -18.93 -19.28 -19.49 -19.54 -20.20 -19.51 -19.78 -17.62 -18.36 -18.98 -17.72 -20.00 1514 2-Methyl-4-hydroxypyridine -17.14 -20.41 -20.44 -19.02 -20.29 -14.27 -18.97 -18.47 -15.73 -19.59 -21.00 -23.23 -20.31 -23.45 -21.27 -22.33 -23.98 -23.99 -22.01 -22.25 -22.47 -22.59 -23.06 -22.47 -22.71 -20.15 -20.80 -21.56 -23.40 -24.12 1515 2-Methyl-5-hydroxypyridine -16.68 -17.08 -17.02 -15.46 -17.35 -11.19 -15.73 -15.23 -12.47 -16.11 -17.49 -19.72 -16.78 -19.76 -17.54 -18.58 -20.26 -20.27 -17.98 -18.33 -18.44 -18.57 -19.11 -18.53 -18.91 -16.68 -17.31 -17.95 -18.18 -19.97 1516 2-Methyl-6-hydroxypyridine -28.73 -27.66 -27.79 -26.33 -27.55 -21.26 -26.18 -25.67 -22.73 -26.75 -28.12 -30.70 -27.50 -30.81 -28.48 -29.51 -31.18 -31.20 -29.40 -29.59 -29.79 -29.79 -30.44 -29.75 -30.12 -27.44 -28.07 -28.75 -26.04 -27.26 1517 Hexanamide -77.49 -75.22 -76.06 -76.66 -75.81 -69.62 -73.85 -73.42 -68.58 -74.40 -75.93 -77.36 -75.16 -77.81 -74.14 -75.33 -78.62 -78.71 -78.80 -78.54 -77.77 -77.81 -78.30 -78.30 -77.60 -75.83 -76.52 -78.09 -73.57 -76.03 1518 2-Amino-2,4,6-cycloheptatriene-1-one 9.44 7.01 7.58 9.06 8.09 4.81 0.95 1.72 5.76 3.30 0.84 0.03 2.75 1.61 4.73 2.85 5.25 5.19 6.37 5.81 6.95 6.42 6.02 6.13 3.98 4.29 3.12 2.84 7.75 8.43 1519 Glycine -93.71 -93.55 -94.13 -95.33 -95.73 -85.34 -88.14 -87.61 -83.17 -92.56 -93.16 -93.87 -93.38 -95.40 -92.08 -92.52 -100.15 -100.12 -96.24 -96.22 -95.66 -95.90 -97.68 -97.46 -96.54 -93.52 -93.79 -95.33 -93.22 -93.25 1520 1-Nitrobutane -34.39 -34.20 -35.69 -34.83 -36.57 -32.50 -38.03 -38.33 -34.91 -33.85 -35.30 -39.13 -34.27 -38.53 -35.84 -36.95 -35.76 -35.80 -38.13 -37.78 -37.88 -37.67 -35.79 -35.43 -35.38 -34.97 -35.62 -36.13 -31.70 -32.82 1521 2-Nitrobutane -39.10 -38.81 -40.50 -39.04 -41.24 -34.80 -40.94 -41.19 -37.44 -36.40 -38.98 -41.79 -36.96 -41.45 -38.50 -40.48 -39.91 -39.96 -41.71 -41.48 -41.92 -41.57 -39.98 -39.31 -38.46 -38.46 -39.65 -40.20 -33.95 -34.33 1522 Ethyl nitrate -36.83 -36.39 -38.37 -37.30 -41.01 -37.61 -43.61 -43.93 -41.29 -38.97 -39.83 -44.93 -39.43 -44.09 -41.93 -42.59 -41.88 -41.88 -42.59 -42.20 -42.90 -42.17 -40.79 -39.68 -40.68 -38.59 -39.00 -39.42 -43.86 -38.81 1523 Propyl nitrate -41.56 -41.19 -43.17 -42.12 -45.63 -41.43 -48.33 -48.63 -45.47 -43.04 -44.32 -49.62 -43.60 -48.88 -46.31 -47.29 -46.48 -46.52 -47.54 -47.08 -47.87 -47.12 -45.54 -44.47 -45.10 -43.06 -43.64 -44.27 -48.88 -43.82 1524 2-Nitrofuran -6.88 -8.19 -9.42 -6.85 -11.61 -4.17 -13.07 -13.31 -10.39 -7.68 -8.52 -16.76 -8.36 -15.35 -12.92 -13.56 -12.68 -12.66 -13.19 -13.10 -14.12 -12.66 -12.11 -10.23 -11.24 -7.95 -8.32 -8.99 -4.33 -3.39 1525 5-Methyl-1,2-oxazol-3-amine 4.71 8.29 7.43 8.14 7.16 16.82 8.75 9.13 12.59 10.22 9.18 2.68 9.31 3.23 6.01 5.22 3.89 3.87 4.76 4.55 3.85 4.98 4.04 5.73 4.81 9.31 8.82 7.76 12.81 12.75 1526 Dimethylfurazan 25.65 26.76 25.87 27.18 25.66 33.75 26.21 26.17 27.57 30.28 28.92 23.01 29.66 23.75 25.02 23.98 26.07 26.02 24.52 24.51 22.99 24.09 24.62 26.15 26.14 28.66 28.02 27.74 34.19 28.68 1527 Dimethyl-1,2-oxazol-5-amine 1.24 0.85 -0.13 1.00 -0.28 10.76 1.26 1.64 5.92 3.96 1.72 -4.67 2.92 -4.15 -0.73 -2.46 -3.38 -3.48 -2.53 -2.94 -3.67 -2.63 -3.28 -1.50 -1.71 2.40 1.31 0.29 4.39 3.99 1528 1-Nitrosopiperidine 3.97 7.39 6.39 7.37 6.26 18.85 7.10 7.26 11.68 13.10 8.65 3.59 11.93 3.16 6.72 3.30 5.14 5.04 3.48 3.69 1.87 2.92 4.96 6.46 7.24 10.18 8.13 6.76 -6.68 -6.97 1529 2,1,3-Benzoxadiazole 71.87 71.51 71.44 74.37 71.67 79.58 69.83 69.93 71.30 76.49 74.13 67.16 75.80 68.48 69.82 68.03 74.29 74.28 72.11 71.74 69.52 70.42 71.81 73.56 73.04 74.23 73.15 73.25 79.54 75.69 1530 N-nitrodimethylamine -1.15 -0.21 -2.22 -1.37 -4.57 2.03 -6.55 -6.42 -2.82 -1.95 -4.35 -10.04 -2.80 -8.84 -5.89 -7.71 -6.77 -6.80 -6.67 -6.55 -6.75 -5.93 -4.55 -3.14 -5.20 -2.43 -3.54 -4.39 -7.78 -5.83 1531 Dimethylfurazan monoxide 24.45 26.46 24.73 26.82 23.02 28.28 17.14 16.97 21.44 27.13 24.62 15.16 26.52 18.29 21.97 20.03 24.95 24.87 23.03 22.32 21.50 22.77 24.20 26.16 24.55 25.93 24.73 24.95 26.08 25.50 1532 1-Nitropiperidine -10.64 -8.17 -10.18 -8.63 -11.66 5.13 -11.27 -11.20 -4.41 -2.16 -8.41 -15.78 -3.70 -16.06 -10.56 -15.37 -13.05 -13.20 -14.72 -14.72 -16.85 -15.39 -12.58 -10.41 -9.39 -6.00 -8.90 -10.59 -21.11 -15.48 1533 4,5-Dihydro-3-nitro-isoxazole 9.32 14.30 12.43 14.57 9.87 22.13 10.27 10.12 13.95 17.37 14.57 6.94 16.38 7.12 10.22 8.09 10.43 10.41 8.76 9.06 6.81 8.09 10.32 12.32 12.33 16.61 15.33 14.40 7.06 7.43 1534 1,1-Dinitropropane -24.07 -26.92 -29.89 -26.64 -32.22 -17.63 -31.24 -31.71 -24.30 -21.51 -26.70 -33.40 -22.70 -32.92 -27.09 -31.08 -29.02 -29.12 -32.97 -32.36 -33.90 -33.04 -29.53 -27.79 -26.26 -25.33 -27.75 -28.56 -19.64 -20.88 1535 2,2,3,3,3-Pentafluoro-1-propanol -313.17 -310.53 -311.91 -311.40 -318.95 -302.63 -304.23 -304.04 -302.35 -308.11 -308.42 -308.12 -308.81 -310.20 -308.95 -309.18 -314.88 -314.86 -311.01 -311.03 -311.33 -311.35 -311.92 -311.40 -310.88 -309.59 -309.74 -311.33 -308.11 -308.32 1536 Trifluoroethylene -117.25 -118.73 -118.78 -118.93 -121.89 -126.71 -122.16 -122.33 -123.62 -124.27 -122.04 -121.49 -123.59 -120.53 -121.59 -119.88 -119.76 -119.70 -119.78 -120.61 -118.31 -119.43 -119.10 -120.39 -121.55 -121.00 -119.97 -119.38 -125.02 -121.95 1537 1-Fluoro-3-(trifluoromethyl)benzene -189.30 -188.68 -188.59 -186.36 -192.94 -187.15 -188.84 -188.74 -188.34 -189.01 -189.46 -190.40 -189.22 -190.52 -190.17 -190.51 -188.49 -188.51 -189.66 -190.12 -189.79 -190.66 -189.47 -189.61 -189.86 -188.93 -189.15 -189.24 -185.94 -183.38 1538 2,2-Difluorobiphenyl -48.00 -50.63 -49.42 -44.98 -50.41 -47.85 -52.34 -51.96 -50.93 -49.05 -52.48 -52.19 -49.47 -51.97 -51.00 -53.65 -47.80 -47.97 -50.28 -50.95 -51.63 -52.86 -50.76 -50.64 -50.15 -49.48 -51.15 -50.83 -47.02 -47.79 1539 4,4-Difluorobiphenyl -49.10 -52.55 -51.24 -46.94 -51.94 -50.59 -55.07 -54.75 -53.54 -51.71 -54.97 -55.09 -52.01 -54.78 -53.70 -56.21 -49.81 -49.96 -52.68 -53.55 -53.56 -55.30 -52.71 -53.15 -52.45 -51.82 -53.39 -52.83 -49.23 -49.25 1540 1-Chloropropane -31.61 -31.99 -31.56 -32.33 -32.83 -36.41 -33.42 -33.55 -34.46 -34.74 -33.05 -32.81 -34.39 -32.22 -32.94 -31.64 -31.68 -31.61 -31.82 -32.11 -30.92 -30.53 -31.34 -31.93 -32.90 -33.75 -32.89 -32.80 -28.57 -30.92 1541 1-Chlorobutane -36.95 -37.02 -36.61 -37.35 -37.61 -40.36 -38.30 -38.42 -38.76 -38.92 -37.72 -37.64 -38.69 -37.16 -37.41 -36.50 -36.42 -36.38 -36.93 -37.17 -36.08 -35.63 -36.30 -36.91 -37.44 -38.37 -37.73 -37.84 -33.67 -36.12 1542 2-Chloro-3-methylbutane -44.20 -46.44 -46.09 -46.41 -46.86 -45.24 -45.28 -45.31 -44.65 -44.31 -45.37 -43.88 -44.40 -44.04 -43.51 -44.33 -44.76 -44.77 -44.76 -44.88 -44.40 -44.19 -44.85 -45.16 -43.88 -45.66 -46.11 -46.46 -43.82 -45.94 1543 2-Chloro-2-methylbutane -48.30 -49.07 -48.83 -48.84 -49.58 -47.01 -47.20 -47.21 -46.41 -46.13 -47.62 -45.72 -46.26 -45.95 -45.31 -46.45 -46.99 -46.99 -46.85 -47.04 -46.67 -46.56 -47.23 -47.36 -45.85 -47.87 -48.53 -48.77 -48.34 -49.80 1544 2-Chlorohexane -48.80 -50.67 -50.36 -50.85 -50.85 -50.58 -50.78 -50.85 -49.79 -49.67 -50.10 -49.78 -49.73 -49.62 -48.78 -49.13 -48.99 -49.06 -49.98 -50.11 -49.41 -49.01 -49.45 -49.86 -49.14 -50.57 -50.70 -51.08 -48.59 -51.02 1545 1-Chlorododecane -76.70 -77.61 -77.31 -77.87 -75.83 -72.39 -77.62 -77.72 -73.50 -72.83 -75.05 -76.62 -73.43 -76.94 -73.60 -75.42 -74.57 -74.93 -78.14 -77.82 -77.44 -76.60 -76.05 -76.88 -74.16 -75.55 -76.46 -78.24 -73.85 -76.41 1546 1-Chlorooctadecane -106.60 -108.17 failed failed -104.59 -96.25 -107.11 -107.19 -99.45 -98.13 -103.16 -105.75 -99.38 -106.75 -100.64 -104.70 -103.32 -103.99 -109.12 -108.41 -108.59 -107.44 -106.03 -106.94 -101.63 -103.39 -105.59 -108.59 -103.87 -107.02 1547 1,3-Dichlorobutane -46.60 -46.91 -45.98 -46.74 -48.71 -47.46 -45.98 -46.00 -46.37 -46.87 -46.38 -45.47 -46.85 -45.61 -45.87 -45.51 -45.62 -45.61 -46.15 -46.51 -45.49 -44.65 -45.44 -46.08 -46.25 -46.88 -46.53 -47.03 -45.64 -47.18 1548 1-Chloro-2-ethylbenzene -1.60 -2.51 -1.19 0.90 -1.21 -0.28 -2.37 -2.33 -1.55 -0.14 -1.81 -1.77 -0.26 -1.51 -0.82 -2.11 0.52 0.45 -0.84 -1.15 -1.01 -1.43 -0.75 -1.04 -0.27 -1.04 -1.81 -1.45 0.36 -1.20 1549 1-Chloro-4-ethylbenzene -0.90 -1.60 -0.30 1.73 -0.22 -0.47 -2.03 -2.03 -1.20 -0.22 -1.23 -1.74 -0.27 -1.22 -0.51 -1.30 1.36 1.30 -0.38 -0.70 -0.39 -0.72 -0.01 -0.44 -0.14 -0.62 -1.05 -0.80 0.55 -0.31 1550 1,2,3,4-Tetrachlorobenzene -6.10 -6.57 -3.94 -1.19 -10.17 0.00 -3.61 -3.71 -2.62 -0.63 -2.55 -3.96 -0.82 -3.60 -2.65 -4.11 -1.57 -1.62 -2.78 -2.85 -3.15 -2.65 -1.70 -1.57 -1.79 -2.08 -2.97 -2.29 -3.44 -6.93 1551 1,2,3,5-Tetrachlorobenzene -8.30 -7.93 -5.43 -2.50 -11.21 -2.29 -5.34 -5.45 -4.36 -2.88 -4.29 -5.98 -3.03 -5.43 -4.50 -5.59 -3.09 -3.14 -4.58 -4.92 -4.78 -4.11 -3.29 -3.40 -3.89 -3.87 -4.48 -4.13 -6.50 -8.02 1552 1,2,4,5-Tetrachlorobenzene -7.80 -7.97 -5.40 -2.69 -11.47 -2.60 -5.57 -5.69 -4.58 -3.19 -4.55 -6.27 -3.33 -5.69 -4.75 -5.80 -3.32 -3.37 -4.87 -5.21 -5.03 -4.34 -3.48 -3.66 -4.20 -4.11 -4.69 -4.39 -6.34 -7.95 1553 Pentachlorobenzene -9.60 -11.50 -8.58 -5.17 -16.38 -1.81 -6.99 -7.12 -5.41 -2.90 -5.75 -7.45 -3.22 -7.23 -5.77 -7.95 -5.30 -5.39 -6.46 -6.47 -7.07 -6.32 -5.17 -4.81 -4.75 -5.27 -6.61 -5.82 -8.31 -12.52 1554 2,2-Dichlorobiphenyl 30.60 24.73 27.15 33.09 25.83 35.16 29.47 29.76 31.27 33.63 27.78 29.69 33.12 29.48 30.84 26.29 32.79 32.53 29.89 28.45 27.77 27.11 29.06 29.20 31.73 30.52 27.64 28.90 28.36 23.21 1555 4,4-Dichlorobiphenyl 28.90 23.29 26.05 30.90 24.93 30.32 25.17 25.40 26.89 28.87 25.11 24.90 28.42 25.10 26.43 23.49 29.64 29.40 26.59 25.86 25.46 24.79 26.90 26.47 27.47 27.20 25.46 25.82 26.58 26.16 1556 1-Bromopropane -21.00 -20.22 -20.38 -21.77 -26.06 -23.85 -21.85 -21.91 -22.54 -22.80 -21.91 -21.39 -22.58 -21.10 -21.59 -20.89 -21.03 -20.96 -20.82 -21.05 -20.24 -19.96 -20.65 -21.08 -21.51 -22.37 -21.89 -21.83 -17.89 -18.71 1557 1,2-Dibromobutane -21.90 -21.71 -22.09 -23.93 -31.32 -19.14 -20.31 -20.21 -19.72 -19.84 -22.03 -19.69 -20.09 -20.69 -20.27 -21.92 -22.33 -22.34 -21.83 -21.92 -21.97 -21.66 -21.98 -21.97 -20.47 -21.61 -22.65 -22.88 -20.31 -19.66 1558 1,2-Dibromoheptane -37.70 -37.20 -37.73 -39.34 -45.93 -31.05 -35.02 -34.90 -32.68 -32.46 -36.24 -34.22 -33.04 -35.55 -33.77 -36.69 -36.65 -36.87 -37.26 -37.29 -37.65 -37.17 -37.07 -37.08 -34.17 -35.61 -37.40 -38.21 -35.24 -35.03 1559 2,3-Dibromobutane -24.40 -24.67 -25.21 -26.91 -34.03 -20.84 -22.50 -22.36 -21.67 -21.56 -24.51 -21.57 -21.88 -22.72 -22.16 -24.37 -24.85 -24.85 -23.91 -24.01 -24.32 -24.29 -24.54 -24.26 -22.35 -23.97 -25.41 -25.46 -23.34 -21.64 1560 1,2-Dibromo-2-methylpropane -27.10 -25.22 -25.78 -27.24 -34.71 -20.26 -22.06 -21.91 -21.22 -21.11 -24.24 -21.17 -21.48 -22.41 -21.82 -24.18 -24.89 -24.90 -23.82 -23.89 -24.44 -24.42 -24.73 -24.44 -22.17 -23.95 -25.45 -25.66 -24.77 -22.38 1561 2,3-Dibromo-2-methylbutane -32.90 -32.28 -33.10 -34.26 -41.34 -23.52 -27.32 -27.08 -25.70 -24.73 -30.18 -25.54 -25.34 -27.47 -26.33 -30.46 -31.01 -31.07 -29.44 -29.59 -30.64 -31.01 -31.09 -30.43 -26.49 -29.25 -31.92 -32.12 -31.44 -28.14 1562 1,4-Dibromobutane -21.00 -20.23 -20.42 -22.51 -31.40 -20.22 -20.30 -20.23 -20.27 -20.83 -21.25 -20.35 -20.97 -20.95 -20.94 -21.28 -21.40 -21.44 -21.55 -21.85 -21.34 -20.54 -21.04 -21.61 -21.07 -21.42 -21.50 -22.18 -19.31 -19.04 1563 (1E)-1-bromoprop-1-ene 10.50 9.39 9.72 9.24 6.20 3.98 7.93 7.85 6.71 6.18 8.27 8.71 6.61 9.68 8.73 10.32 9.56 9.61 9.60 9.47 10.58 10.79 9.79 9.11 8.06 8.02 9.07 9.29 7.24 6.95 1564 1,2-Dibromocyclohexane -27.30 -25.86 -26.56 -27.56 -34.24 -12.87 -21.01 -20.90 -18.22 -16.64 -22.96 -21.13 -17.49 -23.78 -21.58 -26.39 -24.81 -24.88 -24.95 -25.63 -27.56 -27.07 -26.00 -25.09 -20.60 -21.66 -24.66 -25.47 -27.36 -22.15 1565 1,2-Dibromocycloheptane -25.30 -23.59 -24.29 -25.10 -31.58 -8.14 -17.64 -17.51 -13.65 -12.14 -20.04 -17.21 -13.20 -20.23 -17.10 -23.16 -22.26 -22.48 -22.76 -23.27 -25.35 -24.73 -23.56 -22.57 -16.85 -18.16 -21.97 -23.08 -26.46 -21.44 1566 1,2-Dibromocyclooctane -28.40 -22.34 -23.00 -23.95 -29.60 -6.80 -17.23 -17.10 -12.24 -10.57 -19.15 -16.31 -11.76 -19.23 -15.35 -22.02 -20.17 -20.54 -21.91 -22.50 -24.49 -23.67 -22.53 -21.47 -15.34 -16.64 -20.84 -21.89 -29.19 -24.81 1567 (Bromomethyl)benzene 15.10 16.37 17.24 18.31 11.69 15.78 15.69 15.90 15.53 15.86 14.94 15.96 15.81 16.16 15.96 15.27 18.23 18.22 17.18 16.60 16.75 16.62 16.76 16.44 16.39 15.98 15.59 15.94 19.11 18.05 1568 1-Chloro-1,1,3,3,3-pentafluoropropane -275.80 -283.85 -284.60 -284.09 -292.33 -281.02 -281.48 -281.63 -280.75 -283.28 -282.46 -283.76 -283.57 -284.32 -283.70 -283.08 -284.72 -284.70 -284.70 -284.96 -284.39 -283.86 -284.18 -284.13 -284.39 -283.87 -283.44 -284.46 -285.77 -282.65 1569 3,3-Dichloro-1,1,1-trifluoropropane -192.00 -191.54 -191.19 -191.20 -197.95 -188.25 -188.12 -188.19 -187.84 -189.90 -189.41 -189.60 -190.13 -190.29 -190.04 -189.66 -191.14 -191.12 -191.00 -191.19 -190.60 -189.90 -190.35 -190.57 -190.73 -190.55 -190.25 -191.08 -190.86 -189.04 1570 1,1,1-Trifluoro-2-bromoethane -166.00 -167.62 -168.21 -168.99 -177.19 -167.03 -166.01 -166.10 -166.56 -168.68 -167.53 -167.89 -168.71 -168.44 -168.81 -167.92 -169.38 -169.32 -168.75 -168.87 -168.22 -168.07 -168.31 -168.64 -169.05 -168.82 -168.23 -168.66 -165.54 -163.61 1571 1-Bromo-1,1,2,2-tetrafluoroethane -199.20 -201.14 -202.01 -202.24 -211.49 -202.19 -201.12 -201.16 -201.62 -202.88 -201.98 -202.03 -202.90 -202.30 -202.71 -202.02 -203.00 -202.95 -202.41 -202.46 -202.16 -202.02 -202.01 -202.15 -202.77 -202.48 -202.02 -202.34 -196.03 -196.35 1572 1,1,2-Trifluoro-2-chloro-1-bromoethane -154.10 -156.58 -156.94 -157.27 -167.05 -157.05 -156.39 -156.43 -156.47 -157.37 -156.74 -156.75 -157.44 -156.99 -157.05 -156.56 -157.69 -157.65 -157.54 -157.34 -157.42 -156.50 -157.20 -157.11 -157.57 -156.98 -156.62 -157.00 -153.20 -156.82 1573 1,2-Dibromo-1,2-dichloroethane -8.80 -15.00 -14.14 -15.46 -26.05 -10.47 -11.15 -11.03 -11.03 -11.08 -12.56 -10.62 -11.32 -11.66 -11.61 -12.70 -13.53 -13.52 -12.78 -12.38 -13.16 -12.48 -13.05 -12.72 -11.92 -12.54 -13.24 -13.01 -7.79 -13.34 1574 Adamantan-1-ol -75.26 -78.02 -78.43 failed -76.51 -42.04 -63.53 -63.71 -54.32 -53.37 -64.23 -68.70 -55.40 -73.25 -65.75 -74.11 -73.46 -73.73 -74.59 -75.06 -81.84 -80.41 -78.14 -75.11 -65.45 -64.23 -69.31 -72.23 -80.89 -75.25 1575 Adamantan-2-ol -71.51 -74.30 -74.68 failed -72.74 -38.30 -59.81 -59.97 -51.00 -49.72 -60.60 -64.87 -51.72 -69.62 -62.42 -70.81 -70.05 -70.33 -70.96 -71.45 -78.27 -76.80 -74.47 -71.42 -61.73 -60.53 -65.62 -68.53 -77.86 -72.70 1576 Adamantan-2-one -56.48 -59.10 -59.45 failed -57.27 -28.60 -47.32 -47.58 -40.68 -38.27 -47.92 -51.50 -39.84 -55.86 -50.30 -57.72 -53.97 -54.16 -58.22 -58.52 -64.84 -64.10 -59.99 -57.78 -48.94 -47.22 -51.74 -53.96 -63.64 -59.98 1577 1-Acetyladamantane -71.30 -73.60 -74.07 failed -71.20 -35.40 -57.58 -57.77 -49.20 -46.27 -59.57 -60.99 -48.34 -66.51 -59.63 -69.94 -66.97 -67.49 -70.64 -71.14 -78.38 -77.34 -73.57 -70.87 -58.87 -58.02 -64.32 -67.29 -74.23 -71.04 1578 Adamantane-1-carboxylic acid -123.40 -120.13 -120.77 failed -119.20 -77.95 -102.17 -102.20 -91.97 -91.97 -105.42 -108.19 -94.41 -114.32 -106.16 -116.56 -116.85 -117.30 -117.91 -118.52 -125.78 -124.80 -121.80 -118.97 -106.43 -104.22 -110.55 -114.29 -116.80 -111.80 1579 Adamantane-2-carboxylic acid -121.85 -118.79 -119.38 failed -117.92 -77.05 -101.23 -101.26 -90.99 -91.07 -104.50 -107.22 -93.50 -113.38 -105.21 -115.58 -115.81 -116.26 -117.02 -117.61 -124.78 -123.73 -120.74 -117.93 -105.48 -103.11 -109.44 -113.15 -116.69 -110.98 1580 Carbomethoxyadamantane -118.40 -120.19 -121.28 failed -120.08 -78.36 -101.81 -101.60 -94.43 -92.39 -105.72 -107.46 -94.92 -113.66 -107.74 -118.07 -117.53 -118.11 -118.18 -118.57 -126.64 -124.82 -121.80 -118.14 -107.28 -104.55 -110.87 -114.54 -118.88 -113.16 1581 1-Aminoadamantane -30.81 -32.81 -32.94 failed -29.81 5.41 -18.25 -18.33 -7.47 -6.47 -18.53 -24.06 -8.65 -27.97 -19.35 -28.65 -26.35 -26.69 -28.59 -29.17 -35.69 -34.32 -31.89 -28.82 -18.99 -18.30 -23.96 -26.90 -32.36 -25.17 1582 1-Cyanoadamantane -2.32 -5.07 -5.32 failed -1.42 33.49 14.36 14.31 20.65 22.76 11.39 10.33 20.98 4.97 10.13 1.34 3.20 2.88 0.26 0.19 -7.11 -6.13 -2.68 -0.37 10.47 10.17 4.81 2.17 -3.76 0.80 1583 2-Cyanoadamantane -1.74 -4.22 -4.41 failed -0.36 34.38 14.99 14.94 21.27 23.58 12.00 11.09 21.80 5.57 10.72 1.77 3.61 3.30 0.83 0.75 -6.53 -5.52 -2.10 0.19 11.26 11.04 5.58 2.91 -2.34 1.68 1584 Adamantane-1-carboxamide -76.24 -77.87 -78.75 failed -76.49 -35.39 -61.35 -61.13 -49.45 -50.25 -64.43 -68.48 -52.87 -73.62 -64.37 -75.33 -73.94 -74.46 -76.48 -77.07 -83.79 -82.65 -79.52 -76.37 -65.30 -62.86 -69.56 -73.33 -75.41 -71.90 1585 N,N-dimethyl-1-adamantylcarboxamide -69.48 -71.18 -72.22 failed -70.05 -25.90 -53.90 -53.41 -43.99 -40.49 -57.40 -59.21 -43.40 -64.83 -57.13 -70.28 -67.22 -68.06 -68.53 -69.54 -76.99 -75.27 -71.86 -68.20 -56.37 -54.28 -62.33 -66.25 -72.47 -68.86 1586 1-Nitroadamantane -43.14 -45.62 -47.26 failed -46.01 -6.67 -34.72 -35.23 -24.40 -18.33 -32.26 -39.53 -20.70 -43.60 -34.88 -45.62 -39.97 -40.42 -45.13 -45.50 -53.18 -51.42 -46.16 -42.43 -32.10 -30.84 -37.38 -40.21 -42.46 -36.74 1587 2-Nitroadamantane -39.94 -42.57 -44.10 failed -42.90 -3.91 -31.97 -32.48 -21.63 -15.56 -29.55 -36.67 -17.93 -40.82 -32.10 -42.91 -37.29 -37.73 -42.42 -42.84 -50.46 -48.63 -43.38 -39.66 -29.28 -27.88 -34.46 -37.35 -40.70 -35.16 1588 5-(Adamantan-1-yl)-1H-1,2,3,4-tetrazole 43.62 43.96 43.10 failed 45.79 101.73 64.06 64.10 77.08 80.78 63.78 51.52 77.23 46.74 57.28 44.11 49.75 49.03 45.68 45.05 35.91 38.87 43.68 48.98 60.10 64.44 56.38 51.96 44.94 46.99 1589 Bis(adamantan-1-yl)methanone -86.54 -91.71 failed failed -85.95 -9.27 -57.39 -57.71 -40.28 -31.16 -61.28 -63.20 -35.62 -74.55 -60.46 -83.95 -75.05 -76.79 -82.18 -84.35 -99.71 -96.70 -89.42 -83.04 -57.22 -56.84 -71.25 -77.03 -91.95 -84.79 1590 2-Methyl-2-adamantanol -80.88 -82.99 -83.53 failed -81.10 -42.01 -65.57 -65.64 -55.85 -53.96 -67.33 -69.90 -56.28 -75.34 -67.47 -77.80 -77.26 -77.71 -77.68 -78.35 -85.84 -84.25 -82.23 -78.86 -67.13 -66.64 -72.94 -76.31 -83.60 -78.94 1591 Adamantane-2-carboxamide -74.26 -76.08 -76.89 failed -74.65 -33.95 -59.71 -59.49 -47.91 -48.81 -62.97 -66.75 -51.41 -72.02 -62.85 -73.80 -72.36 -72.87 -74.99 -75.62 -82.30 -81.07 -77.98 -74.84 -63.76 -61.18 -67.88 -71.65 -75.60 -71.54 1592 1,3-Dinitroadamantane -51.36 -54.51 -57.77 failed -58.33 -5.45 -42.50 -43.07 -28.33 -20.78 -39.46 -48.80 -24.12 -53.54 -41.71 -56.15 -49.56 -50.30 -56.05 -56.46 -65.76 -63.37 -56.32 -51.17 -38.78 -36.50 -45.32 -48.92 -47.43 -41.36 1593 2,2-Dinitroadamantane -39.53 -42.80 -46.18 failed -46.29 6.94 -30.81 -31.42 -16.41 -7.08 -26.91 -35.57 -10.39 -40.15 -28.11 -43.44 -36.66 -37.37 -42.38 -43.04 -52.77 -50.01 -43.52 -37.99 -24.46 -23.77 -33.16 -36.54 -33.30 -28.64 1594 2-Cyano-2-nitroadamantane -2.94 -5.45 -7.33 failed -4.95 44.03 15.35 15.25 25.42 30.26 13.07 10.93 27.51 4.69 12.92 -0.38 2.52 1.94 -1.03 -1.23 -10.46 -8.83 -3.80 0.07 13.99 13.81 5.65 2.42 -1.13 4.00 1595 1-Azidoadamantane 43.64 41.88 40.69 failed 44.26 83.17 55.11 55.06 64.84 70.72 56.38 48.81 68.36 45.97 53.87 42.78 48.86 48.38 46.76 45.80 38.99 40.73 45.64 49.16 57.92 55.51 48.74 46.06 38.46 46.95 1596 1-Adamantanemethylamine -32.84 -35.18 -35.32 failed -31.79 5.90 -19.18 -19.22 -7.90 -6.44 -20.02 -24.59 -8.78 -29.04 -20.04 -30.55 -28.14 -28.65 -30.29 -31.01 -37.85 -36.42 -33.89 -30.70 -19.55 -19.32 -25.73 -28.99 -31.90 -25.93 1597 1-Chloroadamantane -45.67 -48.45 -48.40 failed -46.98 -15.68 -35.68 -36.04 -28.87 -24.30 -35.05 -38.90 -25.94 -42.81 -36.99 -45.27 -40.33 -40.61 -44.11 -44.94 -51.16 -49.64 -46.45 -43.85 -34.64 -34.92 -39.94 -42.06 -51.16 -46.29 1598 2,2-Dimethylpropanoic acid -117.42 -115.91 -116.56 -116.37 -117.27 -106.73 -109.80 -109.52 -106.29 -110.90 -113.66 -111.61 -111.66 -113.59 -111.10 -113.22 -119.18 -119.20 -116.23 -116.11 -116.52 -117.02 -117.92 -117.94 -114.20 -113.52 -114.79 -116.42 -110.42 -111.12 1599 2-Hydroxymethyltetrahydrofuran -88.24 -89.98 -90.89 -91.15 -92.56 -78.41 -84.37 -84.00 -82.47 -85.01 -86.81 -88.35 -86.00 -90.62 -89.27 -90.66 -95.37 -95.35 -91.04 -91.16 -93.32 -92.18 -93.19 -91.76 -90.21 -87.25 -88.06 -89.77 -99.44 -96.77 1600 2-Methyl-1,3-dioxane -95.08 -92.06 -93.21 -92.88 -95.33 -81.66 -86.72 -86.17 -86.67 -88.28 -89.49 -90.73 -89.36 -92.76 -92.94 -93.86 -98.60 -98.61 -93.69 -93.32 -96.01 -94.20 -95.32 -93.38 -93.84 -89.91 -90.44 -92.41 -99.64 -95.89 1601 1,3-Dioxepane -82.84 -84.71 -85.72 -85.30 -87.56 -74.31 -79.34 -78.67 -79.61 -80.87 -82.82 -82.77 -81.98 -85.16 -85.62 -87.12 -92.00 -92.00 -86.36 -86.10 -88.67 -87.13 -87.90 -86.22 -86.26 -82.49 -83.36 -85.51 -96.78 -91.70 1602 (2S,4S)-2,4-dimethyl-1,3-dioxolane -90.94 -92.00 -93.24 -92.75 -95.23 -82.43 -87.02 -86.59 -87.56 -88.75 -89.39 -91.39 -89.71 -93.06 -93.60 -94.09 -97.79 -97.80 -93.51 -93.48 -96.06 -94.22 -95.38 -93.44 -93.88 -90.07 -90.35 -92.04 -102.37 -97.97 1603 Pentanol -70.43 -70.39 -70.73 -71.68 -70.56 -68.83 -69.13 -69.05 -67.00 -70.27 -70.04 -70.25 -70.49 -70.60 -69.01 -68.84 -72.32 -72.31 -70.37 -70.28 -69.91 -69.99 -70.98 -71.18 -70.63 -70.84 -70.71 -71.38 -70.00 -71.07 1604 Pentanethiol -26.31 -27.60 -26.70 -27.50 -26.64 -26.17 -27.11 -27.22 -25.72 -26.18 -26.69 -26.84 -26.32 -26.95 -25.78 -26.18 -26.63 -26.67 -27.84 -27.56 -27.39 -27.10 -26.82 -27.18 -26.49 -26.78 -26.98 -27.25 -25.81 -26.62 1605 2-Methyl-2-butanethiol -30.38 -32.54 -31.79 -31.67 -31.67 -25.67 -28.47 -28.48 -26.31 -26.09 -29.69 -27.18 -26.52 -28.16 -26.45 -29.20 -30.27 -30.30 -30.10 -29.78 -30.47 -30.94 -30.48 -30.39 -27.34 -28.94 -30.68 -30.70 -32.42 -29.39 1606 1-(Ethylsulfanyl)propane -25.02 -25.90 -25.23 -25.64 -25.10 -25.24 -26.02 -26.09 -25.31 -24.74 -25.39 -25.14 -24.77 -25.31 -24.66 -25.13 -25.21 -25.22 -25.75 -25.27 -25.43 -26.01 -24.91 -25.01 -24.36 -25.34 -25.66 -25.13 -23.56 -23.33 1607 1-(Ethylsulfanyl)isopropane -28.01 -28.11 -27.49 -27.68 -27.37 -25.82 -27.20 -27.24 -26.08 -25.38 -27.11 -25.92 -25.51 -26.31 -25.38 -26.69 -26.93 -26.97 -27.11 -26.62 -27.03 -27.86 -26.72 -26.66 -25.27 -26.71 -27.58 -26.97 -27.18 -25.51 1608 2-Methyl-2-(methylsulfanyl)propane -28.99 -30.81 -30.19 -29.87 -29.90 -25.28 -27.69 -27.68 -26.10 -25.16 -28.56 -25.94 -25.48 -26.81 -25.54 -28.13 -28.93 -28.98 -28.36 -27.97 -28.73 -29.75 -28.72 -28.57 -25.74 -27.70 -29.37 -29.04 -29.90 -27.40 1609 3-Methyl-1-butanethiol -27.43 -29.02 -28.08 -28.65 -27.99 -25.72 -27.25 -27.32 -25.51 -25.89 -27.44 -26.66 -26.15 -27.05 -25.63 -26.84 -27.58 -27.65 -28.42 -28.18 -28.26 -28.03 -27.86 -28.11 -26.58 -27.21 -27.92 -28.36 -26.67 -27.11 1610 3-Methyl-2-butanethiol -28.99 -31.04 -30.19 -30.42 -30.17 -25.33 -27.92 -27.95 -25.85 -25.67 -28.97 -26.68 -26.05 -27.58 -25.94 -28.47 -29.33 -29.37 -29.42 -29.22 -29.56 -29.82 -29.43 -29.53 -26.74 -28.03 -29.62 -29.72 -28.68 -27.75 1611 2,2-Dimethyl-1-propanethiol -30.83 -32.68 -31.78 -31.90 -31.83 -25.92 -28.68 -28.70 -26.48 -26.43 -29.85 -27.54 -26.87 -28.49 -26.74 -29.38 -30.69 -30.73 -30.57 -30.37 -30.89 -30.98 -30.84 -30.88 -27.81 -29.17 -30.80 -31.23 -28.24 -27.80 1612 2-Methyl-1-butanethiol -27.51 -28.94 -28.00 -28.53 -27.99 -25.06 -26.93 -26.99 -25.11 -25.28 -27.36 -26.11 -25.58 -26.68 -25.21 -26.82 -27.57 -27.62 -28.21 -27.96 -28.06 -27.93 -27.73 -27.98 -26.07 -26.85 -27.82 -28.23 -25.68 -26.37 1613 Methyl 2-methylbutanoate -117.71 -114.18 -115.21 -114.52 -116.24 -107.95 -109.59 -109.13 -109.12 -111.78 -113.48 -111.21 -112.47 -112.92 -112.82 -114.16 -118.59 -118.72 -115.91 -115.63 -116.36 -116.02 -116.66 -116.15 -114.90 -113.31 -114.13 -115.53 -111.85 -112.03 1614 Methyl 3-methylbutanoate -119.00 -114.62 -115.59 -115.13 -116.60 -108.75 -110.49 -110.04 -109.80 -112.62 -114.10 -112.19 -113.34 -113.85 -113.59 -114.74 -119.34 -119.44 -116.79 -116.33 -117.01 -116.68 -117.35 -116.92 -115.81 -113.99 -114.67 -116.22 -113.13 -112.35 1615 (2R,4S)-2,4-dimethyl-1,3-dioxane -101.65 -102.23 -103.50 -102.88 -105.39 -89.71 -95.93 -95.35 -94.91 -96.68 -98.71 -99.91 -97.95 -102.01 -101.46 -103.04 -107.93 -108.03 -103.38 -102.99 -105.94 -103.88 -105.18 -102.97 -102.91 -99.18 -100.11 -102.29 -107.37 -103.83 1616 5,5-Dimethyl-1,3-dioxane -100.41 -96.43 -97.46 -96.55 -99.17 -80.86 -88.20 -87.59 -87.32 -88.03 -92.01 -91.51 -89.41 -94.30 -93.81 -96.87 -101.96 -102.04 -96.08 -95.89 -99.24 -97.84 -98.59 -96.68 -94.56 -91.63 -93.47 -95.96 -103.89 -99.11 1617 1,3-Dioxocane -80.50 -85.12 -86.15 -85.80 -87.61 -75.00 -80.90 -80.26 -79.66 -81.34 -84.22 -83.90 -82.60 -86.15 -85.48 -87.73 -92.22 -92.32 -87.99 -87.74 -89.86 -88.23 -88.84 -87.29 -86.88 -82.94 -84.30 -86.70 -99.52 -93.16 1618 1-Hexanethiol -30.96 -32.69 -31.81 -32.58 -31.45 -30.16 -32.03 -32.14 -30.05 -30.41 -31.38 -31.70 -30.66 -31.93 -30.29 -31.07 -31.41 -31.50 -33.00 -32.65 -32.58 -32.24 -31.82 -32.19 -31.07 -31.42 -31.84 -32.32 -30.80 -31.73 1619 1-(Ethylsulfanyl)butane -30.38 -31.01 -30.36 -30.74 -29.94 -29.23 -30.93 -31.01 -29.65 -28.97 -30.09 -30.00 -29.10 -30.28 -29.18 -30.03 -30.00 -30.06 -30.91 -30.38 -30.61 -31.15 -29.90 -30.02 -28.94 -30.00 -30.55 -30.21 -28.52 -28.38 1620 1-(Ethylsulfanyl)-2-methylpropane -35.37 -32.86 -32.19 -32.32 -31.82 -29.12 -31.50 -31.53 -29.86 -29.02 -31.28 -30.21 -29.27 -30.79 -29.45 -31.17 -31.41 -31.50 -31.90 -31.36 -31.90 -32.58 -31.37 -31.33 -29.38 -30.85 -31.96 -31.62 -29.34 -28.67 1621 2,3-Dimethyl-2-butanethiol -35.35 -38.17 -37.41 -36.92 -36.96 -27.18 -32.03 -31.98 -29.04 -28.12 -33.97 -29.99 -28.82 -31.72 -29.39 -33.88 -35.12 -35.24 -34.50 -34.21 -35.31 -35.95 -35.41 -35.29 -30.30 -32.56 -35.38 -35.81 -36.48 -33.50 1622 2-Methyl-2-pentanethiol -35.44 -37.60 -36.89 -36.67 -36.44 -29.43 -33.19 -33.19 -30.47 -30.09 -34.32 -31.81 -30.63 -32.92 -30.77 -34.03 -34.88 -35.01 -35.06 -34.77 -35.57 -35.98 -35.39 -35.31 -31.71 -33.44 -35.48 -35.68 -37.58 -34.71 1623 Bicyclo[3.1.0]hexane-1-carbonitrile 33.96 37.96 37.59 39.92 40.17 51.36 44.44 43.96 44.55 47.22 45.77 41.50 46.87 40.03 40.52 39.40 38.18 38.19 37.10 38.04 35.64 36.64 37.87 38.83 42.44 42.73 42.07 41.12 36.03 39.91 1624 Cyclohex-1-ene-1-carbonitrile 24.28 27.96 28.05 30.11 30.88 36.47 34.52 34.71 35.41 34.17 32.65 33.84 33.91 32.40 32.93 31.75 30.69 30.67 29.67 30.10 28.81 28.71 29.50 29.35 31.52 31.47 30.78 30.24 25.12 25.10 1625 1-Methoxy-3-methylbenzene -24.88 -25.34 -25.07 -22.96 -24.53 -23.65 -25.74 -25.32 -25.64 -25.49 -26.78 -26.64 -25.90 -26.64 -26.72 -27.71 -27.61 -27.68 -25.67 -25.85 -26.31 -26.51 -26.60 -26.21 -26.73 -25.40 -26.02 -26.29 -27.68 -27.15 1626 Ammonia -10.98 -10.36 -10.17 -11.30 -10.49 -9.81 -8.47 -8.39 -5.87 -10.88 -10.39 -10.64 -10.79 -9.89 -8.07 -7.69 -10.45 -10.44 -8.08 -8.83 -7.63 -8.13 -10.00 -9.95 -10.17 -11.24 -11.07 -10.68 -3.14 -4.26 1627 Water -57.80 -57.58 -57.38 -58.97 -58.21 -56.13 -53.66 -53.79 -51.15 -57.07 -56.55 -55.30 -56.88 -55.55 -53.65 -53.24 -58.10 -58.07 -54.48 -55.17 -54.16 -55.10 -56.88 -57.25 -56.06 -57.55 -57.36 -56.95 -54.31 -57.80 1628 Hydrogen fluoride -65.21 -65.61 -65.40 -66.09 -66.08 -66.65 -63.14 -63.53 -61.77 -65.09 -64.46 -63.11 -64.49 -62.71 -61.50 -61.01 -62.85 -62.83 -61.17 -62.21 -60.51 -61.96 -62.38 -63.37 -62.26 -65.57 -65.32 -64.14 -63.61 -61.94 1629 Silane 8.20 6.92 7.29 6.45 5.16 0.82 3.45 3.13 -0.85 3.58 4.43 4.72 3.91 6.05 3.11 3.78 8.33 8.38 5.99 6.08 4.67 6.61 6.51 6.70 5.02 4.88 5.37 5.96 7.15 12.85 1630 Hydrogen sulfide -4.92 -5.88 -4.63 -5.79 -6.18 -7.51 -4.33 -4.50 -4.83 -7.05 -5.70 -5.07 -6.85 -4.61 -4.92 -3.90 -5.39 -5.39 -5.23 -5.50 -4.95 -3.96 -5.38 -5.63 -6.60 -6.08 -5.42 -5.55 -1.69 -3.51 1631 Hydrogen chloride -22.08 -22.37 -21.62 -22.55 -23.22 -26.32 -21.80 -22.07 -22.29 -24.90 -22.64 -22.45 -24.44 -21.44 -21.70 -19.99 -21.23 -21.22 -20.95 -21.64 -20.18 -19.49 -21.28 -22.10 -23.23 -23.68 -22.55 -22.57 -32.00 -20.49 1632 Hydrazine 22.80 24.01 24.07 22.09 23.82 27.81 26.05 26.45 30.56 23.66 23.39 21.74 23.29 22.00 25.11 24.93 21.33 21.33 24.24 23.65 24.62 24.36 22.53 22.93 22.27 23.45 23.28 22.89 15.22 15.30 1633 Hydrogen peroxide -32.52 -31.47 -31.68 -33.13 -33.68 -31.90 -29.57 -29.62 -28.23 -32.54 -32.29 -29.51 -32.48 -31.12 -30.04 -29.83 -34.32 -34.28 -30.26 -30.76 -30.86 -31.77 -33.40 -33.64 -31.81 -31.22 -31.15 -30.95 -24.00 -30.23 1634 Disilane 19.10 17.14 17.45 16.28 15.15 10.67 8.54 7.80 5.48 13.89 13.07 11.08 14.01 12.21 10.48 9.89 19.26 19.31 12.72 13.38 10.34 11.30 15.95 16.69 14.87 15.57 15.21 16.23 16.74 20.53 1635 Hypochlorous acid -18.30 -17.96 -17.75 -18.95 -19.46 -22.21 -17.90 -17.90 -18.20 -21.09 -19.27 -17.41 -20.76 -17.55 -17.79 -16.42 -19.87 -19.85 -16.64 -17.35 -16.58 -16.17 -18.61 -19.28 -19.49 -19.00 -18.09 -18.22 -17.81 -23.08 1636 Imidogen 85.20 85.19 85.01 85.85 86.29 88.70 92.09 92.31 84.51 84.42 84.81 91.22 84.07 84.59 78.51 78.80 84.73 84.72 85.89 85.72 86.67 86.12 86.45 86.07 84.48 85.82 85.96 84.94 81.44 79.97 1637 Silylene radical 86.20 84.67 85.75 86.19 84.47 79.47 77.95 77.25 77.43 81.75 82.91 79.96 81.85 78.98 79.19 80.08 82.52 82.55 84.73 84.40 84.35 87.12 89.29 89.42 82.80 84.20 84.87 84.94 85.66 50.80 1638 Arsine 15.88 17.05 17.24 16.30 14.98 18.12 17.38 17.07 17.44 18.09 18.04 16.77 18.05 17.19 17.41 17.39 18.43 18.45 16.71 16.87 16.10 17.97 16.59 16.72 17.02 17.03 17.08 17.38 11.38 -4.72 1639 Boron monohydride 105.81 105.93 105.97 106.60 106.59 106.58 110.32 109.99 106.71 108.66 108.54 111.83 108.84 111.27 108.92 108.83 109.17 109.17 107.95 108.01 106.88 107.43 107.13 107.48 109.73 110.14 110.09 110.51 100.91 102.55 1640 Bromosilane -18.70 -18.80 -18.20 -20.23 -25.01 -21.89 -21.14 -21.32 -24.26 -21.78 -21.05 -21.51 -21.67 -21.27 -23.46 -22.91 -20.18 -20.15 -21.62 -21.66 -22.69 -22.28 -20.85 -20.87 -21.72 -21.17 -20.74 -20.93 -17.68 -17.35 1641 Calcium hydroxide -145.98 -146.12 -145.26 -148.97 -128.84 -137.69 -137.46 -136.91 -134.66 -140.87 -141.83 -138.66 -141.33 -140.32 -138.64 -139.33 -147.18 -147.15 -143.60 -142.45 -142.91 -141.24 -145.08 -144.54 -143.74 -143.22 -143.66 -144.06 -138.88 -146.51 1642 Chlorosilane -33.90 -33.61 -32.61 -33.66 -36.42 -37.10 -34.87 -35.01 -38.67 -36.22 -34.91 -34.89 -35.97 -34.33 -37.04 -36.05 -33.06 -33.02 -34.89 -34.98 -35.62 -34.52 -33.95 -34.11 -35.52 -35.33 -34.62 -34.77 -31.24 -29.18 1643 Dichlorosilane -76.60 -76.19 -74.59 -75.53 -79.99 -76.49 -75.12 -75.09 -77.91 -77.30 -75.98 -76.30 -77.17 -76.30 -78.43 -77.43 -75.67 -75.64 -77.18 -77.34 -77.43 -77.30 -76.18 -76.57 -77.39 -77.06 -76.36 -77.05 -72.01 -67.49 1644 Dihydrogen sulfate -175.72 -171.57 -171.85 -173.20 -173.68 -150.74 -160.00 -159.37 -155.96 -163.18 -165.64 -169.99 -164.50 -171.90 -169.10 -170.96 -177.16 -177.14 -172.63 -172.35 -173.42 -173.69 -175.34 -174.26 -171.00 -168.67 -169.81 -171.75 -168.02 -177.88 1645 Germane 21.70 20.23 20.28 20.21 12.07 14.58 13.44 13.02 12.47 16.27 16.33 14.38 16.33 15.37 14.82 14.90 22.75 22.78 17.14 16.87 16.45 17.97 17.17 17.68 16.30 17.82 17.91 18.73 17.35 25.13 1646 Hydrazoic acid 70.29 69.52 69.06 69.52 69.72 72.12 69.05 69.10 70.92 70.17 69.48 66.13 70.07 67.71 69.06 68.53 68.56 68.51 70.61 69.92 71.19 71.18 71.57 71.82 70.33 67.98 67.63 67.60 74.11 73.26 1647 Hydrogen bromide -8.67 -8.76 -8.16 -9.48 -13.43 -12.07 -8.48 -8.71 -8.96 -11.46 -9.49 -9.68 -11.14 -8.76 -9.04 -7.57 -8.83 -8.83 -8.76 -9.29 -8.04 -6.86 -8.95 -9.78 -10.68 -10.51 -9.47 -9.68 -15.73 -4.08 1648 Hydrogen selenide 7.10 7.25 8.17 6.60 4.15 9.21 11.47 11.45 13.88 7.90 9.21 9.81 7.82 9.46 11.16 12.14 12.73 12.72 9.04 8.54 9.63 10.78 9.25 8.63 7.43 11.72 12.38 11.26 -2.81 -7.47 1649 Hydroxylamine -11.95 -9.77 -9.87 -11.48 -11.17 -7.64 -7.30 -7.11 -4.57 -10.31 -10.24 -9.72 -10.48 -10.42 -8.47 -8.41 -12.69 -12.67 -9.00 -9.54 -9.09 -9.62 -11.39 -11.24 -10.78 -9.79 -9.81 -9.93 -18.60 -20.04 1650 Lithium hydroxide -56.00 -56.48 -56.91 -58.34 -56.71 -55.85 -53.30 -52.66 -51.60 -56.69 -56.68 -53.44 -56.51 -53.63 -52.92 -52.90 -57.67 -57.65 -55.89 -55.05 -55.03 -55.31 failed failed -57.50 -57.31 -57.31 -57.28 -58.09 -59.21 1651 Nitric acid -32.10 -31.31 -32.85 -32.43 -35.25 -31.39 -37.24 -37.81 -32.73 -33.21 -34.16 -39.53 -33.52 -38.85 -34.92 -35.64 -36.03 -36.02 -36.82 -36.80 -36.74 -36.89 -35.63 -35.10 -34.46 -32.85 -33.31 -33.41 -37.07 -34.28 1652 Nitrous acid -19.00 -18.82 -19.03 -19.12 -20.20 -17.50 -18.34 -18.66 -16.69 -17.75 -18.06 -18.63 -17.82 -18.95 -17.55 -17.78 -19.36 -19.35 -19.41 -19.31 -19.78 -20.23 -20.27 -20.22 -18.26 -17.37 -17.54 -17.50 -18.38 -23.61 1653 Sodium hydroxide -47.27 -45.51 -45.60 -45.98 -43.08 -40.76 -39.47 -38.86 -38.77 -42.08 -42.27 -39.20 -41.77 -40.42 -40.38 -40.51 -44.69 -44.67 -44.96 -44.36 -43.12 -42.79 failed failed -43.45 -43.77 -43.85 -43.45 -46.98 -44.59 1654 Trichlorosilane -118.60 -119.08 -116.94 -117.41 -123.95 -115.34 -115.21 -115.04 -116.76 -117.83 -116.96 -117.48 -117.85 -118.02 -119.37 -118.72 -117.90 -117.88 -119.20 -119.29 -119.17 -120.16 -118.48 -118.94 -118.82 -118.54 -118.11 -119.09 -112.59 -104.16 1655 Trifluorosilane -287.00 -287.85 -287.18 -287.34 -289.41 -281.57 -276.63 -275.55 -278.64 -283.89 -283.29 -278.45 -283.71 -278.92 -281.20 -280.73 -285.87 -285.83 -281.91 -281.30 -281.28 -281.04 -281.84 -282.89 -284.11 -287.17 -286.83 -287.12 -285.22 -282.60 1656 Methyl radical 35.00 34.90 34.51 35.01 35.48 28.32 33.64 33.55 29.72 30.30 32.26 35.94 30.76 33.90 31.01 32.52 35.51 35.56 35.83 35.54 36.66 36.41 36.57 36.19 32.76 32.45 33.34 33.75 28.08 27.97 1657 Amino radical 44.64 44.38 44.47 44.21 45.05 44.55 47.48 47.59 45.43 42.36 42.81 47.27 42.28 43.39 41.69 42.04 44.77 44.77 45.45 45.06 45.76 45.22 45.06 44.89 43.09 43.65 43.82 43.51 43.55 41.72 1658 Hydroxy radical 9.36 8.55 8.64 8.63 8.81 10.01 14.36 14.22 11.09 6.90 7.30 14.66 6.81 8.23 5.79 6.09 7.63 7.65 9.16 8.97 9.29 8.25 8.38 7.69 7.89 8.39 8.54 7.96 13.32 7.26 1659 Silyl radical 47.90 46.09 47.02 46.87 45.48 39.67 40.62 40.09 38.40 42.33 43.25 42.32 42.54 42.51 41.32 42.03 45.39 45.44 45.21 45.17 44.38 46.57 47.97 48.08 43.60 44.50 45.04 45.43 48.31 25.07 1660 Phosphine radical 33.10 31.96 32.79 32.36 31.22 22.99 28.28 28.16 26.26 24.81 26.63 29.85 25.00 28.79 27.32 28.69 31.31 31.33 28.84 28.56 29.44 32.27 31.02 30.57 25.51 28.86 29.83 29.32 33.34 37.54 1661 Cyano radical 104.90 105.45 105.72 108.21 106.56 106.29 112.84 112.79 108.61 109.42 110.90 115.72 109.87 114.12 110.55 111.67 109.98 109.98 112.23 112.32 112.88 112.94 112.60 111.98 111.55 108.69 109.39 109.63 101.55 102.74 1662 Formyl radical 10.00 9.01 9.27 10.05 9.64 4.97 11.01 10.91 7.66 6.05 7.68 12.19 6.35 10.26 7.56 8.80 9.23 9.27 8.89 8.82 8.95 8.66 9.14 8.49 7.04 7.80 8.55 8.49 -3.97 -3.01 1663 Chlorine monoxide 24.27 25.75 25.70 25.79 24.94 16.03 21.29 21.11 18.03 18.12 20.01 23.69 18.46 21.73 19.03 20.45 23.61 23.62 23.01 22.48 23.12 23.60 23.36 22.47 20.47 23.16 24.12 23.48 25.47 21.57 1664 Sulfanyl radical 34.16 33.38 34.07 34.12 33.53 31.31 35.97 35.90 33.85 30.67 32.16 36.03 30.71 33.57 31.98 33.09 33.14 33.13 32.58 32.78 33.30 34.48 34.24 33.76 30.36 32.61 33.36 32.57 32.04 31.76 1665 Acetylene radical 135.10 134.71 134.03 137.65 136.86 131.68 139.83 139.80 135.31 135.16 138.05 143.07 135.79 141.13 137.54 139.74 135.47 135.52 139.38 139.64 141.11 141.30 139.98 139.18 137.37 137.32 138.69 138.81 131.73 135.41 1666 Ethenyl radical 71.60 70.24 70.25 72.16 71.69 62.10 68.89 68.82 65.07 65.50 68.23 71.84 66.04 70.64 67.53 69.63 71.25 71.32 71.37 71.29 72.66 72.71 72.11 71.59 68.40 69.35 70.63 70.91 55.20 56.30 1667 Acetyl radical -2.40 -3.31 -3.18 -2.18 -2.50 -8.74 -3.46 -3.53 -6.06 -7.58 -5.46 -2.28 -7.29 -3.85 -6.02 -4.40 -3.63 -3.55 -4.87 -4.72 -4.27 -4.47 -3.58 -4.17 -6.51 -5.19 -4.20 -4.31 -20.43 -18.97 1668 Hydroxymethyl radical -4.10 -4.08 -4.23 -4.31 -4.11 -7.92 -4.42 -4.34 -5.66 -8.35 -6.85 -4.31 -8.26 -6.32 -7.44 -6.28 -6.58 -6.52 -4.81 -5.04 -4.13 -4.50 -4.60 -4.90 -7.65 -6.08 -5.40 -5.60 -23.83 -21.31 1669 Methoxy radical 4.10 4.44 4.14 5.06 4.24 -1.37 3.38 3.31 -0.64 -2.00 -0.48 4.38 -1.93 0.55 -2.82 -1.65 1.40 1.46 1.80 1.72 2.20 1.79 2.11 1.70 -0.38 2.22 2.91 2.37 0.90 -2.60 1670 Hydroxyethyl radical -3.70 -3.71 -3.84 -2.81 -3.44 -9.58 -5.61 -5.68 -8.64 -10.05 -8.38 -4.58 -10.06 -8.00 -10.72 -9.42 -6.41 -6.32 -6.75 -6.65 -6.15 -6.40 -6.08 -6.44 -8.70 -5.74 -4.95 -5.62 -7.52 -10.99 1671 Thiomethyl radical 29.80 27.94 28.58 29.24 28.62 24.09 28.16 28.08 26.01 24.28 26.05 28.95 24.44 26.86 25.20 26.55 27.23 27.27 26.31 26.78 27.37 28.04 28.51 28.15 24.69 26.84 27.70 27.32 26.77 26.08 1672 Ethyl radical 28.90 28.81 28.60 29.11 29.82 20.55 25.23 25.09 22.14 22.88 25.31 27.46 23.36 26.04 23.72 25.59 28.92 29.01 28.12 28.06 29.54 29.38 29.51 29.08 25.47 25.72 26.86 27.30 16.00 15.86 1673 Isopropyl radical 21.50 20.92 20.90 21.61 22.42 12.35 16.07 15.91 13.96 14.85 17.17 18.29 15.27 17.33 15.71 17.51 21.09 21.19 19.49 19.54 21.23 21.08 21.41 20.98 17.36 17.91 19.00 19.43 4.30 4.49 1674 tert-butyl radical 12.30 11.90 12.01 13.17 13.98 4.45 6.90 6.75 5.83 6.95 8.57 9.23 7.25 8.53 7.65 8.90 12.71 12.78 10.65 10.69 12.37 12.17 12.88 12.52 9.18 9.74 10.49 10.80 -6.78 -6.12 1675 Nitro radical 7.92 7.72 7.02 8.96 5.96 4.54 2.73 2.05 2.84 5.28 5.01 3.03 5.39 2.73 3.24 3.03 8.25 8.25 3.91 3.88 4.30 3.76 7.28 7.03 5.85 5.27 5.12 5.45 -9.55 -5.47 1676 Trifluoromethyl radical -111.30 -113.30 -112.73 -111.33 -114.12 -118.02 -114.61 -114.95 -117.47 -117.05 -115.28 -113.99 -116.64 -115.69 -117.81 -116.45 -113.02 -112.97 -113.66 -114.21 -112.10 -113.40 -110.55 -111.89 -115.14 -114.82 -114.02 -113.59 -127.30 -125.23 1677 Phenyl radical 81.20 79.92 80.46 85.05 84.51 73.57 75.58 75.60 72.91 75.23 76.80 77.66 75.46 76.37 74.25 75.48 80.09 80.20 78.69 78.78 79.58 79.31 80.46 80.19 76.87 78.27 79.05 79.39 71.54 73.12 1678 Bromine dioxide 36.32 38.03 37.51 39.54 35.01 25.41 26.81 26.43 25.72 33.36 34.19 32.35 34.07 35.46 34.86 35.47 41.99 41.99 38.88 38.15 39.73 40.28 40.23 40.05 38.41 32.23 32.71 34.20 78.19 79.10 1679 Nitric oxide 21.59 21.23 21.27 22.33 20.73 25.52 28.09 27.83 24.86 22.50 22.60 27.23 22.38 22.85 20.47 20.54 21.14 21.13 20.07 20.60 19.64 19.06 21.50 21.00 21.11 22.41 22.43 21.76 27.72 22.30 1680 Cyclopentyl radical 25.30 24.96 25.48 26.74 27.96 24.88 22.25 21.88 21.74 24.58 25.35 22.88 24.59 20.98 20.82 21.42 26.90 27.00 23.20 23.36 23.47 23.83 25.29 25.56 23.99 25.61 26.02 25.91 5.78 7.90 1681 2-Butanone-3-yl radical -16.80 -18.94 -18.78 -16.47 -17.79 -23.99 -20.96 -20.88 -22.28 -23.61 -22.19 -19.59 -23.52 -21.56 -22.82 -21.72 -19.96 -19.90 -21.90 -21.41 -20.21 -20.52 -20.08 -20.53 -22.78 -19.80 -19.12 -19.56 -29.85 -30.10 1682 Butoxy radical -15.00 -14.75 -14.43 -12.81 -12.88 -17.51 -15.49 -15.54 -17.34 -18.43 -17.65 -14.27 -18.67 -17.92 -19.72 -19.12 -16.12 -16.06 -17.10 -16.77 -16.48 -16.59 -16.02 -16.35 -17.85 -14.97 -14.57 -15.66 -16.99 -20.63 1683 Triethylamine-1-yl radical 16.40 14.69 14.99 17.46 17.68 16.88 14.18 14.66 15.79 15.95 13.95 14.66 15.33 14.15 14.95 13.35 15.48 15.33 15.53 15.44 15.96 16.44 16.86 17.24 14.69 16.42 15.44 14.50 -3.05 -5.56 1684 1,4-Dioxane-2-yl radical -31.50 -32.15 -32.28 -30.24 -32.42 -26.15 -29.22 -28.63 -31.24 -31.61 -31.87 -31.41 -32.51 -35.01 -36.95 -37.12 -37.93 -37.85 -34.47 -33.99 -36.07 -34.82 -33.99 -32.60 -36.16 -30.01 -30.09 -31.85 -62.76 -57.26 1685 Cyclopentanone-2-yl radical -10.00 -8.15 -7.67 -5.05 -6.38 -7.20 -9.30 -9.46 -9.46 -9.12 -8.75 -9.68 -9.28 -12.22 -12.37 -12.06 -8.09 -8.01 -11.96 -11.71 -11.81 -11.77 -10.00 -9.91 -10.71 -6.60 -6.38 -7.07 -23.57 -21.76 1686 Pyrrolidine-2-yl radical 34.10 36.70 36.93 38.01 38.77 40.33 35.42 35.48 36.88 37.02 36.92 33.07 36.56 31.86 32.90 32.84 36.58 36.65 34.56 34.50 34.27 34.96 36.01 36.83 34.28 37.64 37.64 36.95 11.49 14.48 1687 3,3-Dimethylbutan-2-one-1-yl radical -27.60 -28.60 -28.07 -24.18 -25.77 -23.61 -23.61 -23.37 -24.03 -24.61 -26.87 -21.31 -25.07 -24.99 -25.54 -27.28 -26.33 -26.37 -27.22 -26.61 -26.62 -27.19 -26.46 -26.75 -25.71 -24.12 -25.18 -26.40 -31.07 -32.12 1688 Cyclohexyl radical 18.00 15.83 16.57 18.50 19.81 18.74 14.91 14.69 15.69 17.86 17.13 15.93 17.63 13.50 14.24 13.68 18.37 18.42 15.07 15.41 15.19 15.48 17.41 17.64 16.58 18.07 17.78 17.27 -1.01 1.30 1689 Cycloheptyl radical 12.10 13.21 14.20 16.57 18.10 18.21 13.25 13.09 15.06 17.18 15.03 14.88 16.76 12.10 13.60 11.92 16.28 16.25 12.71 13.13 12.94 13.30 15.19 15.39 15.47 16.79 15.80 14.89 -4.26 -1.72 1690 Adamantan-1-yl radical 12.30 9.78 11.40 16.93 17.16 39.31 20.48 20.02 25.40 32.15 23.26 19.01 30.74 13.95 18.24 11.42 20.13 19.99 15.05 14.91 9.26 10.16 15.06 17.31 23.27 24.70 20.56 18.67 -2.16 3.97 1691 Adamantan-2-yl radical 14.80 10.35 11.88 17.35 17.70 39.76 21.27 20.87 26.14 32.30 23.67 19.78 30.91 14.34 18.60 11.98 20.18 20.04 15.15 15.07 9.58 10.62 15.08 17.46 23.28 25.00 20.97 19.10 -4.33 1.77 1692 Cyclooctyl radical 14.20 9.52 10.73 13.66 15.27 17.87 11.20 11.11 13.68 16.53 12.45 13.65 15.90 10.23 12.21 9.02 13.09 12.95 9.90 10.20 9.94 10.25 12.21 12.33 14.17 15.08 13.16 11.85 -7.18 -5.04 1693 Cubyl radical 198.60 193.29 195.35 199.55 200.44 211.76 192.62 189.96 190.49 209.26 209.82 188.90 209.15 188.13 188.30 188.78 201.24 201.37 188.33 188.90 185.82 189.46 192.49 196.69 202.35 207.39 207.74 206.95 161.10 184.49 1694 Butanoic acid radical -59.60 -56.25 -56.15 -53.72 -56.12 -61.38 -60.23 -60.23 -60.60 -59.81 -59.48 -58.08 -59.80 -58.92 -59.37 -59.11 -54.25 -54.20 -57.89 -58.16 -57.41 -57.67 -56.48 -56.89 -58.27 -55.06 -54.87 -55.04 -51.01 -53.62