Antoine Coefficients log(P) = A-B/(T+C) where P is in mmHg and T is in Celsius Source of data: Yaws and Yang (Yaws, C. L. and Yang, H. C., "To estimate vapor pressure easily. antoine coefficients relate vapor pressure to temperature for almost 700 major organic compounds", Hydrocarbon Processing, 68(10), p6568, 1989. ID formula compound name A B C Tmin Tmax ?? ? ----------------------------------------------------------------------------------1 CCL4 carbon-tetrachloride 6.89410 1219.580 227.170 -20 101 Y2 0 2 CCL3F trichlorofluoromethane 6.88430 1043.010 236.860 -33 27 Y2 0 3 CCL2F2 dichlorodifluoromethane 6.68619 782.072 235.377 -119 -30 Y6 0 4 CCLF3 chlorotrifluoromethane 6.35109 522.061 231.677 -150 -81 Y6 0 5 CF4 carbon-tetrafluoride 6.97230 540.500 260.100 -180 -125 Y1 0 6 CO carbon-monoxide 6.24020 230.270 260.010 -210 -165 Y2 0 7 CO2 carbon-dioxide 9.81060 1347.790 273.000 -119 -69 Y2 0 8 COS carbonyl-sulfide 6.90723 804.480 250.000 -111 -49 Y5 0 9 CS2 carbon-disulfide 6.94190 1168.620 241.540 -45 69 Y2 0 10 CHCL3 chloroform 6.93710 1171.200 227.000 -13 97 Y2 0 11 CHCL2F dichlorofluoromethane 6.97575 996.267 234.172 -91 9 Y6 0 12 CHCLF2 chlorodifluoromethane 6.75770 740.390 231.860 -48 -33 Y2 0 13 CHF3 trifluoromethane 7.08860 705.330 249.780 -128 -82 Y4 0 14 CHI3 triiodomethane 6.59598 1567.8 204. 137 254 N 19 15 CHNS isothiocyanic-acid 0.00000 0.000 0.000 0 0 ? 0 16 CH2CL2 dichloromethane 7.08030 1138.910 231.460 -44 59 Y2 0 17 CH2CLF chlorofluoromethane 6.20452 740.39 231.86 -55 12 N 12 18 CH2F2 difluoromethane 7.13890 821.700 244.700 -82 -32 Y4 0 19 CH2I2 diiodomethane 6.94246 1567.800 204.000 83 232 Y10 0 20 CH2O formaldehyde 7.15610 957.240 243.010 -88 -2 Y2 0 21 CH2O2 formic-acid 7.37790 1563.280 247.070 -2 136 Y1 0 22 CH3BR bromomethane 6.95970 986.590 238.330 -58 53 Y2 0 23 CH3CL chloromethane 6.99440 902.450 243.610 -93 -7 Y2 0 24 CH3F fluoromethane 7.09760 740.220 253.890 -132 -64 Y2 0 25 CH3I iodomethane 6.98800 1146.340 236.660 -13 52 Y2 0 26 CH3NO2 nitromethane 7.04400 1291.000 209.010 5 136 Y2 0 27 CH3NO2 methyl-nitrite 0.00000 0.000 0.000 0 0 ? 0 28 CH3NO3 methyl-nitrate 0.00000 0.000 0.000 0 0 ? 0 29 CH4 methane 6.69561 405.420 267.777 -181 -152 Y3 0 30 CH4O methanol 8.07240 1574.990 238.870 -16 91 Y2 0 31 CH4S methanethiol 7.03163 1015.547 238.706 -70 25 Y3 0 32 CH5N methylamine 7.49690 1079.150 240.240 -61 38 Y2 0 33 C2CL4 tetrachloroethene 7.02000 1415.490 221.010 34 187 Y2 0 34 C2CL6 hexachloroethane 7.08633 1626.945 197.048 33 186 Y6 0 35 C2CL3F3 112trichlorotrifluoroethane 6.88030 1099.900 227.500 -25 83 Y4 0 36 C2CL2F4 12dichlorotetrafluoroethane 6.87084 942.336 232.632 -95 4 Y6 0 37 C2CLF5 chloropentafluoroethane 6.83330 802.970 242.280 -98 -43 Y2 0 38 C2F4 tetrafluoroethene 6.89660 683.840 245.940 -133 -63 Y2 0 39 C2F6 hexafluoroethane 6.79330 657.060 246.220 -103 -73 Y2 0 40 C2N2 cyanogen 6.43629 576.579 182.308 -77 -4 Y7 0 41 C2HCL3 trichloroethene 7.02810 1315.100 230.010 -13 127 Y2 0 42 C2HCL5 pentachloroethane 6.74000 1378.000 197.000 25 162 Y4 0 43 C2HF3 trifluoroethene 5.68715 491.359 227.23 -93 -31 N 49 44 C2H2 acetylene(ethyne) 9.14020 1232.600 280.900 -129 -83 Y3 0 45 C2H2CL2 1,1-dichloroethene 6.97220 1099.400 237.200 -28 32 Y4 0 46 C2H2CL2 cis-1,2-dichloroethene 7.02230 1205.400 230.600 0 84 Y4 0 47 C2H2CL2 trans-1,2-dichloroethene 6.96510 1141.900 231.900 -38 85 Y4 0 48 C2H2CL4 1,1,2,2-tetrachloroethane 6.63170 1228.100 179.900 25 130 Y4 0 49 C2H2F2 1,1-difluoroethene 6.34918 491.359 227.239 -140 -86 Y7 0 50 C2H2F2 cis-1,2-difluoroethene 5.31401 491.359 227.23 -78 2.6 N 49 51 C2H2F2 trans-1,2-difluoroethene 5.31401 491.359 227.23 -78 2.6 N 49 52 C2H2O ketene 6.95730 803.100 238.010 -103 -18 Y2 0 53 C2H3BR bromoethylene 7.24379 1219.308 264.021 -88 16 Y6 0 54 C2H3CL chloroethene 6.49710 783.400 230.010 -88 17 Y2 0 55 C2H3CL3 1,1,2-trichloroethane 6.96530 1351.000 217.000 29 155 Y2 0 56 C2H3CLO acetyl-chloride 6.84070 1062.860 217.630 -36 82 Y2 0 57 C2H3F fluoroethene 6.33949 593.551 243.111 -149 -72 Y6 0 58 C2H3F3 1,1,1-trifluoroethane 6.90380 788.210 243.240 -3 27 Y2 0 59 C2H3N acetonitrile 7.07350 1279.200 224.010 -13 117 Y2 0 60 C2H4 ethylene 6.74756 585.000 255.000 -153 -91 Y3 0 61 C2H4BR2 1,2-dibromoethane 6.72148 1280.820 201.750 52 131 Y4 0
62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131
C2H4CL2 C2H4CL2 C2H4F2 C2H4I2 C2H4O C2H4O C2H4O2 C2H4O2 C2H4OS C2H4S C2H5BR C2H5CL C2H5F C2H5I C2H5N C2H5NO2 C2H5NO3 C2H6 C2H6O C2H6O C2H6O2 C2H6S C2H6S C2H6S2 C2H7N C2H7N C3H3N C3H4 C3H4 C3H4O2 C3H5BR C3H5CL C3H5CL3 C3H5I C3H5N C3H6 C3H6 C3H6BR2 C3H6CL2 C3H6CL2 C3H6CL2 C3H6I2 C3H6O C3H6O C3H6O C3H6O C3H6S C3H7BR C3H7BR C3H7CL C3H7CL C3H7F C3H7F C3H7I C3H7I C3H7NO2 C3H7NO2 C3H7NO3 C3H7NO3 C3H8 C3H8O C3H8O C3H8O C3H8S C3H8S C3H8S C3H9N C3H9N C4F8 C4H2
1,1-dichloroethane 1,2-dichloroethane 1,1-difluoroethane 1,2-diiodoethane ethylene-oxide acetaldehyde acetic-acid methyl-formate thioacetic-acid thiacyclopropane bromoethane chloroethane fluoroethane iodoethane ethylenimine nitroethane ethyl-nitrate ethane methyl-ether ethyl-alcohol ethylene-glycol methyl-sulfide ethanethiol methyl-disulfide ethylamine dimethylamine acrylonitrile allene(propadiene) propyne(methylacetylene) acrylic-acid 3-bromo-1-propene 3-chloro-1-propene 1,2,3-trichloropropane 3-iodo-1-propene propionitrile propene cyclopropane 1,2-dibromopropane 1,2-dichloropropane 1,3-dichloropropane 2,2-dichloropropane 1,2-diiodopropane propylene-oxide allyl-alcohol propionaldehyde acetone thiacyclobutane 1-bromopropane 2-bromopropane 1-chloropropane 2-chloropropane 1-fluoropropane 2-fluoropropane 1-iodopropane 2-iodopropane 1-nitropropane 2-nitropropane propyl-nitrate isopropyl-nitrate propane ethyl-methyl-ether propyl-alcohol isopropyl-alcohol ethyl-methyl-sulfide 1-propanethiol 2-propanethiol propylamine trimethylamine octafluorocyclobutane butadiyne(biacetylene)
6.98530 7.02530 7.03000 6.98834 7.27010 7.05650 7.29960 7.17040 7.74889 7.03725 6.92000 6.94000 6.97850 6.95900 7.13230 7.58777 7.16370 6.83452 7.31640 8.21330 8.79450 6.94879 6.95206 6.97792 7.38620 7.06390 6.91630 5.71370 6.78485 7.19260 7.05187 6.93880 7.00280 6.96930 6.93010 6.81960 6.88790 6.89105 6.96540 6.97186 6.94820 6.0765 6.65460 7.34240 7.04930 7.23160 7.01667 7.03766 7.00463 6.93110 6.96540 6.95330 7.07451 7.22121 7.01670 7.11460 7.48654 7.73719 6.42006 6.80398 5.88190 7.61920 8.11820 6.93849 6.92846 6.87734 6.94680 6.97040 6.81530 5.51917
1171.420 1271.250 910.000 1647.100 1115.100 1070.600 1479.020 1125.200 1479.02 1194.370 1090.810 1012.780 854.210 1232.000 1133.700 1671.266 1338.800 663.700 1025.560 1652.050 2615.400 1090.755 1084.531 1346.342 1137.300 1024.400 1208.300 458.060 803.730 1441.500 1259.83 1099.600 1484.100 1316.500 1277.200 785.000 856.010 1419.600 1296.400 1376.200 1201.100 1507.41 915.310 1271.700 1154.800 1277.030 1321.331 1259.836 1223.475 1121.120 1081.600 965.180 965.18 1507.410 1340.448 1467.450 1664.036 1721.723 1018.568 803.810 504.490 1375.140 1580.920 1182.562 1183.307 1113.895 1108.200 968.700 862.490 460.684
228.130 222.940 244.000 201.000 244.150 236.010 216.820 230.560 216.82 232.420 231.720 236.680 246.160 229.000 210.010 241.187 224.900 256.470 256.060 231.480 244.910 230.799 231.385 218.863 235.860 238.010 222.010 196.070 229.080 193.010 232.04 226.010 204.010 220.000 218.010 247.000 246.510 212.000 221.000 216.000 226.000 244.7 208.290 188.010 229.010 237.230 224.513 232.042 236.508 230.210 230.010 239.500 239.5 244.701 234.365 215.230 240.995 245.490 183.528 246.990 160.760 193.010 219.620 224.784 224.624 226.157 224.010 234.010 225.150 164.594
-31 -33 -35 98 -73 -63 17 -48 40 -35 -47 -73 -103 30 -25 -21 0 -143 -94 -3 91 -47 -49 6 -58 -55 -18 -99 -90 42 17 -43 42 20 -3 -112 -93 50 15 34 -6 125 -48 13 -38 -32 -5 -53 -62 -43 -48 -70 -49 -36 -43 59 -19 0 0 -108 -68 12 0 -26 -25 -37 -38 -58 -32 -78
79 100 0 253 37 47 157 51 106 77 60 37 -21 60 86 114 60 -75 -8 96 221 58 56 135 43 37 112 -16 -6 177 93 77 197 142 132 -32 -28 250 135 162 105 275 67 127 77 77 120 71 60 77 67 30 8 103 90 131 120 70 70 -25 37 127 101 90 91 75 77 32 1 0
Y2 0 Y2 0 Y2 0 Y10 0 Y2 0 Y2 0 Y2 0 Y2 0 N 68 Y3 0 Y2 0 Y2 0 Y2 0 Y4 0 Y2 0 Y6 0 Y4 0 Y3 0 Y2 0 Y2 0 Y1 0 Y3 0 Y3 0 Y3 0 Y2 0 Y2 0 Y1 0 Y3 0 Y3 0 Y1 0 N 109 Y2 0 Y1 0 Y10 0 Y2 0 Y3 0 Y2 0 Y4 0 Y2 0 Y10 0 Y10 0 N 115 Y2 0 Y1 0 Y2 0 Y2 0 Y3 0 Y6 0 Y6 0 Y2 0 Y1 0 Y10 0 N 113 Y6 0 Y6 0 Y4 0 Y6 0 Y6 0 Y6 0 Y3 0 Y2 0 Y2 0 Y2 0 Y3 0 Y3 0 Y3 0 Y2 0 Y2 0 Y1 0 Y6 0
132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201
C4H4 C4H4O C4H4S C4H6 C4H6 C4H6 C4H6 C4H6 C4H6O3 C4H7N C4H7N C4H8 C4H8 C4H8 C4H8 C4H8 C4H8BR2 C4H8BR2 C4H8I2 C4H8O C4H8O C4H8O2 C4H8O2 C4H8S C4H9BR C4H9BR C4H9BR C4H9CL C4H9CL C4H9CL C4H9CL C4H9I C4H9N C4H9NO2 C4H9NO2 C4H10 C4H10 C4H10O C4H10O C4H10O C4H10O C4H10O C4H10O C4H10S C4H10S C4H10S C4H10S C4H10S C4H10S C4H10S C4H10S2 C4H11N C4H11N C4H11N C4H11N C5H5N C5H6S C5H6S C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8 C5H8
1buten3yne(vinylacetylene) furan thiophene 1,2-butadiene 1,3-butadiene 1-butyne(ethylacetylene) 2-butyne(dimethylacetylene) cyclobutene acetic-anhydride butyronitrile isobutyronitrile 1-butene 2-butene,cis 2-butene,trans 2-methylpropene cyclobutane 1,2-dibromobutane 2,3-dibromobutane 1,2-diiodobutane butyraldehyde 2-butanone p-dioxane ethyl-acetate thiacyclopentane 1-bromobutane 2-bromobutane 2-bromo-2-methylpropane 1-chlorobutane 2-chlorobutane 1-chloro-2-methylpropane 2-chloro-2-methylpropane 2-iodo-2-methylpropane pyrrolidine 1-nitrobutane 2-nitrobutane butane 2-methylpropane(isobutane) ethyl-ether methyl-propyl-ether methyl-isopropyl-ether butyl-alcohol sec-butyl-alcohol tert-butyl-alcohol ethylsulfide isopropyl-methyl-sulfide methyl-propyl-sulfide 1-butanethiol 2-butanethiol 2-methyl-1-propanethiol 2-methyl-2-propanethiol ethyl-disulfide butylamine sec-butylamine tert-butylamine diethylamine pyridine 2-methylthiophene 3-methylthiophene 1,2-pentadiene 1,3-pentadiene,cis 1,3-pentadiene,trans 1,4-pentadiene 2,3-pentadiene 3-methyl-1,2-butadiene 2-methyl-1,3-butadiene 1-pentyne 2-pentyne 3-methyl-1-butyne cyclopentene spiropentane
6.95300 6.97530 6.95926 6.99383 6.84999 6.98198 7.07338 6.95769 7.12160 7.03960 7.21591 6.84290 6.86926 6.86952 6.84134 6.91630 7.25696 7.20023 6.2433 7.02120 7.20870 7.00630 7.01460 6.99540 6.92254 6.82724 6.66850 6.93790 6.94470 6.95304 6.86710 7.2539 6.92460 6.86715 7.25197 6.80896 6.91048 6.92032 6.11860 6.24495 7.47680 7.47430 7.31990 6.92836 6.90196 6.95545 6.92754 6.88698 6.88746 6.78781 6.97507 7.21300 7.15069 6.78309 6.97240 6.98820 6.93897 6.98611 6.91820 6.91089 6.91317 6.83543 6.96216 6.94350 6.88564 6.96730 7.04614 6.88480 6.92070 6.91700
957.000 1060.850 1246.020 1041.117 930.546 988.750 1101.710 1009.320 1427.770 1390.700 1390.7 926.100 960.100 960.800 923.200 1024.540 1759.076 1691.481 1507.41 1233.000 1368.210 1288.500 1211.900 1401.939 1298.608 1229.080 1129.700 1227.430 1195.800 1205.079 1114.900 1507.41 1179.990 1467.45 1664.03 935.860 946.350 1064.070 708.690 708.69 1362.390 1314.190 1154.480 1257.833 1232.170 1284.320 1281.018 1229.904 1237.282 1115.565 1485.970 1308.400 1238.300 993.262 1127.000 1344.200 1326.480 1363.840 1104.991 1101.923 1103.840 1017.995 1126.837 1103.901 1071.578 1092.520 1189.870 1014.810 1121.810 1090.080
230.010 227.750 221.350 242.274 238.854 233.010 235.810 244.986 198.050 217.000 217 240.000 237.000 240.000 240.000 241.380 235.009 230.223 244.7 223.010 236.510 211.010 216.010 219.607 219.700 220.000 225.000 224.110 226.010 227.046 229.010 244.7 205.260 215.23 240.99 238.730 246.680 228.800 179.900 179.9 178.730 186.510 177.660 218.662 221.670 219.660 218.100 222.021 220.313 221.314 208.958 224.200 227.000 210.493 220.010 212.010 214.310 216.780 228.851 229.367 231.724 231.461 227.841 230.890 233.513 227.190 229.600 227.110 233.460 231.100
-73 -35 -12 -26 -58 -68 -30 -77 35 34 49 -81 -73 -76 -82 -73 8 5 110 -18 -16 2 -13 14 19 10 -7 -18 -23 -54 -38 42 27 86 75 -78 -87 -61 0 -12 15 25 20 -6 -13 -4 -2 -13 -10 1 40 -14 -9 19 -31 12 9 11 -20 -17 -16 -33 -13 -20 -18 -43 -33 -55 -29 3
32 90 108 30 14 27 47 2 164 160 127 13 23 20 12 17 166 161 246 107 103 137 112 147 141 146 110 112 102 69 87 124 127 182 167 19 7 20 39 51 131 120 103 117 109 120 123 109 113 87 182 100 98 75 77 152 138 141 66 65 63 46 69 62 55 62 78 47 105 71
Y1 Y1 Y3 Y3 Y3 Y3 Y3 Y6 Y2 Y2 N Y3 Y3 Y3 Y3 Y2 Y6 Y6 N Y2 Y2 Y2 Y2 Y3 Y10 Y9 Y10 Y2 Y1 Y6 Y1 N Y2 N N Y3 Y3 Y4 Y4 N Y2 Y2 Y2 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y2 Y10 Y6 Y2 Y2 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y1 Y4 Y4 Y1 Y4
0 0 0 0 0 0 0 0 0 0 141 0 0 0 0 0 0 0 115 0 0 0 0 0 0 0 0 0 0 0 0 115 0 117 118 0 0 0 0 170 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271
C5H10 C5H10 C5H10 C5H10 C5H10 C5H10 C5H10 C5H10BR2 C5H10O C5H10O C5H10S C5H10S C5H11BR C5H11CL C5H11CL C5H11CL C5H12 C5H12 C5H12 C5H12O C5H12O C5H12O C5H12S C5H12S C5H12S C5H12S C6CL6 C6F6 C6H4CL2 C6H4CL2 C6H4CL2 C6H4F2 C6H4F2 C6H4F2 C6H5BR C6H5CL C6H5F C6H5I C6H6 C6H6O C6H6S C6H7N C6H7N C6H7N C6H10 C6H10 C6H10 C6H10 C6H10 C6H10O C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12 C6H12O
1-pentene 2-pentene,cis 2-pentene,trans 2-methyl-1-butene 3-methyl-1-butene 2-methyl-2-butene cyclopentane 2,3-dibromo-2-methylbutane valeraldehyde 2-pentanone thiacyclohexane cyclopentanethiol 1-bromopentane 1-chloropentane 1-chloro-3-methylbutane 2-chloro-2-methylbutane pentane 2-methylbutane(isopentane) 2,2-dimethypropane methyl-tert-butyl-ether pentyl-alcohol tert-pentyl-alcohol butyl-methyl-sulfide ethyl-propyl-sulfide 2-methyl-2-butanethiol 1-pentanethiol hexachlorobenzene hexafluorobenzene o-dichlorobenzene m-dichlorobenzene p-dichlorobenzene m-difluorobenzene o-difluorobenzene p-difluorobenzene bromobenzene chlorobenzene fluorobenzene iodobenzene benzene phenol benzenethiol 2-picoline 3-picoline aniline 1-hexyne cyclohexene 1-methylcyclopentene 3-methylcyclopentene 4-methylcyclopentene cyclohexanone 1-hexene 2-hexene,cis 2-hexene,trans 3-hexene,cis 3-hexene,trans 2-methyl-1-pentene 3-methyl-1-pentene 4-methyl-1-pentene 2-methyl-2-pentene 3-methyl-2-pentene,cis 3-methyl-2-pentene,trans 4-methyl-2-pentene,cis 4-methyl-2-pentene,trans 2-ethyl-1-butene 2,3-dimethyl-1-butene 3,3-dimethyl-1-butene 2,3-dimethyl-2-butene cyclohexane methylcyclopentane cyclohexanol
6.84650 6.87274 6.90575 6.87314 6.82618 6.91562 6.88676 7.36735 7.01920 6.95000 6.90518 6.91497 6.95580 6.96617 6.79527 6.95902 6.87632 6.83315 6.60427 5.896 7.17760 7.87530 6.94583 6.93380 6.82837 6.93311 9.78602 7.03300 7.07030 7.30370 6.99800 7.06582 7.02031 7.08812 6.86060 6.97810 7.18700 7.01190 6.90565 7.13450 6.99019 7.03240 7.05020 7.24180 6.91212 6.87240 6.86884 6.87259 6.87015 6.97851 6.86572 7.03805 6.89342 6.87854 6.91780 6.85030 6.75523 6.83529 6.92367 6.91073 6.92634 6.84129 6.88030 6.99712 6.86236 6.67751 6.95058 6.84130 6.86283 6.25530
1044.895 1067.951 1083.987 1053.780 1013.474 1095.088 1124.162 1695.900 1316.000 1274.600 1422.470 1388.630 1401.634 1332.890 1258.5 1258.500 1075.780 1040.730 883.420 708.69 1314.560 1604.700 1363.808 1341.570 1254.885 1369.479 4597.570 1227.980 1649.550 1782.400 1575.110 1310.27 1310.271 1310.27 1438.820 1431.050 1381.830 1640.130 1211.033 1516.070 1529.454 1415.730 1481.770 1675.300 1194.600 1221.900 1199.600 1165.600 1197.600 1495.580 1152.971 1258.571 1173.343 1164.134 1180.707 1138.516 1086.316 1121.302 1183.837 1186.402 1194.527 1120.707 1142.874 1218.352 1134.675 1010.516 1215.428 1201.531 1186.059 912.870
233.516 230.585 232.965 232.788 236.816 232.842 231.361 207.000 215.010 210.910 211.720 212.050 214.380 218.500 223 223.000 233.205 235.445 227.782 179.9 168.160 208.160 212.074 212.510 218.759 211.314 355.961 215.500 213.320 230.010 208.520 222.58 222.587 222.58 205.450 217.560 235.570 208.780 220.790 174.570 203.048 211.580 211.210 200.010 225.000 223.180 225.000 227.000 225.000 209.559 225.849 233.851 224.530 224.749 225.384 224.704 226.204 229.687 225.514 226.696 224.833 226.586 227.143 231.300 229.367 224.909 225.443 222.647 226.042 109.130
-55 -49 -49 -53 -63 -48 -40 81 4 2 29 81 41 24 39 7 -50 -57 -13 2 37 55 17 14 -3 20 114 -3 58 53 54 36 31 34 47 47 -23 17 -16 72 52 79 74 67 -8 27 -5 -10 -2 90 -29 -25 -25 -27 -26 -30 -37 -38 -26 -26 -23 -35 -33 -28 -36 -47 -21 6 -24 94
51 58 58 52 41 60 72 218 139 137 170 173 173 148 124 123 58 49 29 80 138 133 150 145 125 153 309 117 210 202 204 114 130 112 177 147 97 197 104 208 198 169 185 227 118 87 130 119 130 166 87 92 91 90 90 85 77 77 90 91 94 79 81 88 78 64 97 105 96 161
Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y10 Y1 Y1 Y3 Y4 Y10 Y10 N Y10 Y3 Y3 Y3 N Y2 Y1 Y3 Y3 Y3 Y3 Y6 Y2 Y2 Y2 Y2 N Y6 N Y2 Y2 Y2 Y2 Y3 Y2 Y3 Y1 Y1 Y2 Y9 Y1 Y8 Y8 Y8 Y6 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y4
0 0 0 0 0 0 0 0 0 0 0 0 0 0 217 0 0 0 0 170 0 0 0 0 0 0 0 0 0 0 0 234 0 234 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341
C6H12O C6H12S C6H14 C6H14 C6H14 C6H14 C6H14 C6H14O C6H14O C6H14O C6H14S C6H14S C6H14S C6H14S C6H14S C6H14S2 C6H15N C7H5F3 C7H5N C7H6O2 C7H7F C7H8 C7H8 C7H8O C7H8O C7H8O C7H12 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14 C7H14O C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16 C7H16O C7H16O C7H16S C7H16S C7H16S C7H16S C8H6 C8H8 C8H8 C8H10 C8H10 C8H10 C8H10 C8H14 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16 C8H16
hexanal thiacycloheptane hexane 2-methylpentane 3-methylpentane 2,2-dimethylbutane 2,3-dimethylbutane propyl-ether isopropyl-ether hexyl-alcohol butyl-ethyl-sulfide isopropyl-sulfide methyl-pentyl-sulfide propyl-sulfide 1-hexanethiol propyl-disulfide triethylamine a,a,a-trifluorotoluene benzonitrile benzoic-acid p-fluorotoluene toluene 1,3,5-cycloheptatriene m-cresol o-cresol p-cresol 1-heptyne 1-heptene cycloheptane ethylcyclopentane 1,1-dimethylcyclopentane c-1,2-dimethylcyclopentane t-1,2-dimethylcyclopentane c-1,3-dimethylcyclopentane t-1,3-dimethylcyclopentane methylcyclohexane heptanal heptane 2-methylhexane 3-methylhexane 3-ethylpentane 2,2-dimethylpentane 2,3-dimethylpentane 2,4-dimethylpentane 3,3-dimethylpentane 2,2,3-trimethylbutane isopropyl-tert-butyl-ether heptyl-alcohol butyl-propyl-sulfide ethyl-pentyl-sulfide hexyl-methyl-sulfide 1-heptanethiol ethynylbenzene styrene 1,3,5,7-cyclooctatetraene ethylbenzene m-xylene o-xylene p-xylene 1-octyne 1-octene cyclooctane propylcyclopentane ethylcyclohexane 1,1-dimethylcyclohexane c-1,2-dimethylcyclohexane t-1,2-dimethylcyclohexane c-1,3-dimethylcyclohexane t-1,3-dimethylcyclohexane c-1,4-dimethylcyclohexane
6.71442 6.90523 6.87024 6.83910 6.81887 6.75483 6.80983 6.94760 7.09710 7.86040 6.94102 6.87118 7.11609 6.93577 6.94664 6.97529 6.89890 6.97045 7.72911 7.45400 6.99426 6.95464 6.97433 7.50800 6.91170 7.03510 6.68593 6.90069 6.85390 6.88709 6.81724 6.85008 6.84422 6.83715 6.83817 6.82300 5.47587 6.89385 6.87318 6.86764 6.87564 6.81480 6.85382 6.82621 6.82667 6.79230 6.62913 6.64760 6.65279 6.65279 6.65279 6.95249 6.957 6.95710 7.00669 6.95719 7.00908 6.99891 6.99052 7.02447 6.93263 6.86190 6.90392 6.86728 6.79821 6.83746 6.83308 6.83883 6.83455 6.83287
1316. 1422.47 1168.720 1135.410 1152.368 1081.176 1127.187 1256.500 1257.600 1761.260 1421.320 1327.120 1413.44 1413.440 1454.004 1603.793 1251.800 1306.350 2110.572 1820.000 1374.055 1344.800 1376.840 1856.360 1435.500 1511.080 1216.600 1257.505 1331.570 1298.599 1219.474 1269.140 1242.748 1237.456 1240.023 1270.763 686.453 1264.370 1236.026 1240.196 1251.827 1190.033 1238.017 1192.041 1228.663 1200.563 1257.6 1140.640 1421.32 1421.32 1421.32 1525.311 1445.58 1445.580 1472.110 1424.255 1462.266 1474.679 1453.430 1413.800 1353.486 1437.780 1384.386 1382.466 1321.705 1367.311 1353.881 1338.473 1343.687 1345.613
215.01 211.72 224.210 226.572 227.129 229.343 228.900 219.000 230.010 196.670 205.810 212.550 205.73 205.730 204.954 195.848 222.010 217.380 244.819 147.960 217.400 219.482 220.750 199.070 165.160 161.860 220.000 219.179 216.360 220.675 221.946 220.209 221.686 222.005 221.621 221.416 111.817 216.636 219.545 219.223 219.887 223.303 221.823 221.634 225.316 226.050 230.01 126.560 205.81 205.81 205.81 197.696 209.44 209.440 215.840 213.206 215.105 213.686 215.307 215.000 212.764 209.980 213.159 214.995 217.845 215.835 219.132 218.072 215.394 216.154
64 78 -25 -32 -29 -41 -35 26 -24 35 33 13 70 32 40 73 -13 55 28 132 68 6 0 97 97 97 14 -6 57 -3 -12 -3 -9 -10 -9 -3 12 -2 -9 -8 -7 -19 -10 -17 -14 -19 41 60 99 99 99 59 82 32 0 26 28 32 27 25 15 94 21 21 10 18 13 11 15 15
156 169 92 83 89 73 81 89 91 157 172 147 153 170 181 226 127 139 191 287 155 136 65 207 207 207 142 118 162 129 113 125 117 116 117 127 155 123 115 117 118 104 115 105 111 106 134 176 203 203 203 206 172 187 75 163 166 172 166 170 148 197 158 160 147 158 151 147 152 152
N N Y3 Y3 Y3 Y3 Y3 Y4 Y2 Y1 Y3 Y3 N Y3 Y3 Y3 Y2 Y4 Y6 Y1 Y4 Y3 Y4 Y2 Y2 Y2 Y9 Y3 Y1 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y6 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 N Y1 N N N Y3 N Y2 Y4 Y3 Y3 Y3 Y3 Y9 Y3 Y1 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3
210 212 0 0 0 0 0 0 0 0 0 0 285 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 280 0 282 282 282 0 325 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411
C8H16 C8H16O C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18 C8H18O C8H18O C8H18O C8H18O C8H18S C8H18S C8H18S C8H18S C8H18S C8H18S2 C9H10 C9H10 C9H10 C9H10 C9H10 C9H10 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H12 C9H16 C9H18 C9H18 C9H18 C9H18 C9H18 C9H18O C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20
t-1,4-dimethylcyclohexane 6.81773 octanal 12.51168 octane 6.90940 2-methylheptane 6.91735 3-methylheptane 6.89944 4-methylheptane 6.90065 3-ethylhexane 6.89098 2,2-dimethylhexane 6.83715 2,3-dimethylhexane 6.87004 2,4-dimethylhexane 6.85305 2,5-dimethylhexane 6.85984 3,3-dimethylhexane 6.85121 3,4-dimethylhexane 6.87986 3-ethyl-2-methylpentane 6.86358 3-ethyl-3-methylpentane 6.86731 2,2,3-trimethylpentane 6.82546 2,2,4-trimethylpentane 6.81189 2,3,3-trimethylpentane 6.84353 2,3,4-trimethylpentane 6.85396 2,2,3,3-tetramethylbutane 6.87665 butyl-ether 6.98250 sec-butyl-ether 6.79153 tert-butyl-ether 6.93294 octyl-alcohol 6.83700 butyl-sulfide 6.54589 ethyl-hexyl-sulfide 6.42693 heptyl-methyl-sulfide 6.42693 pentyl-propyl-sulfide 6.42693 1-octanethiol 6.96909 butyl-disulfide 6.96380 alpha-methylstyrene 7.09240 propenylbenzene,cis 7.44961 propenylbenzene,trans 7.54993 m-methylstyrene 6.87928 o-methylstyrene 6.88461 p-methylstyrene 7.01120 propylbenzene 6.95142 cumene 6.93666 m-ethyltoluene 7.01582 o-ethyltoluene 7.00314 p-ethyltoluene 6.99802 1,2,3-trimethylbenzene 7.04082 1,2,4-trimethylbenzene 7.04383 mesitylene 7.07436 1-nonyne 6.77410 1-nonene 6.95387 butylcyclopentane 6.89935 propylcyclohexane 6.88646 c-c-135trimethylcyclohexane 7.09743 c-t-135trimethylcyclohexane 7.07274 nonanal 7.81505 nonane 6.93440 2-methyloctane 6.91191 3-methyloctane 6.90920 4-methyloctane 6.90318 3-ethylheptane 6.90489 4-ethylheptane 6.89898 2,2-dimethylheptane 6.88174 2,3-dimethylheptane 6.87635 2,4-dimethylheptane 6.90252 2,5-dimethylheptane 6.89317 2,6-dimethylheptane 6.89385 3,3-dimethylheptane 6.87553 3,4-dimethylheptane 6.88359 3,5-dimethylheptane 6.90164 4,4-dimethylheptane 6.86968 3-ethyl-2-methylhexane 6.88690 4-ethyl-2-methylhexane 6.90030 3-ethyl-3-methylhexane 6.87787 3-ethyl-4-methylhexane 6.89430
1330.437 3977.531 1349.820 1337.468 1331.530 1327.661 1327.884 1273.594 1315.503 1287.876 1287.274 1307.882 1330.035 1318.120 1347.209 1294.875 1257.840 1328.046 1315.084 1329.930 1431.500 1348.53 1348.533 1310.620 1421.32 1421.32 1421.32 1421.32 1593.000 1684.100 1582.700 1909.083 1909.08 1471.440 1485.410 1535.100 1491.297 1460.793 1529.184 1535.374 1527.113 1593.958 1573.267 1569.622 1404.700 1435.359 1457.080 1460.800 1460.8 1460.8 2036.854 1429.460 1398.420 1405.800 1399.120 1406.500 1399.800 1363.910 1389.500 1368.720 1375.400 1368.000 1385.360 1396.900 1382.800 1378.700 1390.200 1376.100 1406.800 1404.300
218.581 244.532 209.385 213.693 212.414 212.568 212.595 215.072 214.157 214.790 214.412 217.439 214.863 215.306 219.684 218.420 220.735 220.375 217.526 226.360 207.010 223.79 223.790 136.060 205.81 205.81 205.81 205.81 190.610 181.300 206.010 238.874 238.87 200.000 200.000 200.700 207.140 207.777 208.509 207.300 208.921 207.078 208.564 209.578 210.000 205.535 205.990 207.939 207.93 207.93 227.486 201.820 203.650 204.760 205.410 206.500 207.200 208.210 207.300 207.440 206.800 205.680 209.790 208.400 207.900 210.400 209.000 208.600 211.400 209.500
10 73 19 12 13 12 13 3 10 5 5 6 11 9 10 4 -4 7 7 103 32 57 4 70 106 115 115 115 76 101 75 18 105 72 75 68 43 38 46 48 46 57 52 49 50 36 41 40 78 80 33 39 33 33 32 32 30 24 29 24 27 26 26 29 26 24 27 25 28 29
147 169 152 144 145 144 145 133 142 135 135 138 144 142 145 136 125 142 140 133 182 149 109 195 215 231 231 231 229 263 220 179 197 250 255 170 188 181 190 194 191 205 198 193 223 174 185 186 164 166 185 179 171 172 170 171 169 160 168 160 163 162 165 168 163 163 166 161 169 168
Y3 Y6 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y2 N Y5 Y2 N N N N Y3 Y3 Y1 Y6 N Y4 Y4 Y4 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y9 Y3 Y3 Y3 N N Y6 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 364 0 0 282 282 282 282 0 0 0 0 373 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389 389 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481
C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20 C9H20O C9H20S C9H20S C9H20S C9H20S C9H20S C10H8 C10H8 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H14 C10H18 C10H18 C10H18 C10H20 C10H20 C10H20 C10H20O C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22
2,2,3-trimethylhexane 2,2,4-trimethylhexane 2,2,5-trimethylhexane 2,3,3-trimethylhexane 2,3,4-trimethylhexane 2,3,5-trimethylhexane 2,4,4-trimethylhexane 3,3,4-trimethylhexane 3,3-diethylpentane 3-ethyl-2,2-dimethylpentane 3-ethyl-2,3-dimethylpentane 3-ethyl-2,4-dimethylpentane 2,2,3,3-tetramethylpentane 2,2,3,4-tetramethylpentane 2,2,4,4-tetramethylpentane 2,3,3,4-tetramethylpentane nonyl-alcohol butyl-pentyl-sulfide ethyl-heptyl-sulfide hexyl-propyl-sulfide methyl-octyl-sulfide 1-nonanethiol naphthalene azulene butylbenzene m-diethylbenzene o-diethylbenzene p-diethylbenzene 1,2,3,4-tetramethylbenzene 1,2,3,5-tetramethylbenzene 1,2,4,5-tetramethylbenzene 1-decyne decahydronaphthalene,cis decahydronaphthalene,trans 1-decene 1-cyclopentylpentane butylcyclohexane decanal decane 2-methylnonane 3-methylnonane 4-methylnonane 5-methylnonane 3-ethyloctane 4-ethyloctane 2,2-dimethyloctane 2,3-dimethyloctane 2,4-dimethyloctane 2,5-dimethyloctane 2,6-dimethyloctane 2,7-dimethyloctane 3,3-dimethyloctane 3,4-dimethyloctane 3,5-dimethyloctane 3,6-dimethyloctane 4,4-dimethyloctane 4,5-dimethyloctane 4-propylheptane 4-isopropylheptane 3-ethyl-2-methylheptane 4-ethyl-2-methylheptane 5-ethyl-2-methylheptane 3-ethyl-3-methylheptane 4-ethyl-3-methylheptane 3-ethyl-5-methylheptane 3-ethyl-4-methylheptane 4-ethyl-4-methylheptane 2,2,3-trimethylheptane 2,2,4-trimethylheptane 2,2,5-trimethylheptane
6.86574 6.84922 6.83531 6.85417 6.85274 6.87078 6.85163 6.85761 6.89262 6.87166 6.84463 6.85293 6.82876 6.83173 6.79710 6.85961 6.67570 6.23448 6.23448 6.23448 6.23448 6.98390 7.01065 6.7868 6.98317 7.00360 6.98780 6.99820 7.05940 7.07790 7.08000 7.10870 6.87529 6.85681 6.96034 6.94140 6.91030 8.20794 6.96375 6.93372 6.92975 6.92234 6.91878 6.91845 6.90922 6.90617 6.89449 6.92146 6.90263 6.93331 6.91326 6.88895 6.89926 6.89758 6.91284 6.88891 6.89288 6.94710 6.88757 6.89294 6.89200 6.89424 6.88063 6.88689 6.91593 6.88827 6.88302 6.87507 6.87525 6.87855
1375.720 1340.900 1324.049 1389.790 1387.220 1359.090 1368.723 1403.880 1451.245 1383.130 1418.000 1380.540 1397.483 1374.042 1325.183 1417.473 1276.630 1421.32 1421.32 1421.32 1421.32 1655.600 1733.710 1733.71 1577.965 1575.310 1576.940 1588.310 1690.540 1675.430 1672.430 1606.600 1594.460 1564.683 1501.872 1540.600 1538.518 2378.316 1508.750 1472.730 1479.100 1471.000 1468.400 1477.400 1466.680 1439.600 1462.220 1439.800 1442.500 1450.530 1444.190 1457.600 1465.900 1448.800 1456.900 1446.900 1460.520 1458.700 1449.800 1457.900 1438.200 1448.800 1472.900 1464.200 1455.200 1466.800 1464.900 1446.100 1409.400 1417.400
211.630 211.350 210.737 212.100 210.220 209.290 214.047 212.560 215.575 212.750 213.000 210.870 213.703 214.762 216.093 214.705 123.060 205.81 205.81 205.81 205.81 183.700 201.859 201.85 201.378 200.960 200.510 201.970 199.480 201.140 201.430 206.000 203.392 206.259 197.578 198.800 200.833 237.905 195.374 196.380 197.500 198.300 198.500 199.400 200.440 200.700 200.000 200.400 200.200 199.400 198.270 202.500 201.400 201.300 200.500 203.500 201.900 201.200 202.900 202.200 202.300 201.300 204.500 203.300 202.400 203.000 205.200 204.400 204.500 203.800
23 18 16 25 27 22 20 27 31 23 30 25 26 21 13 27 90 129 129 129 129 93 87 160 62 61 63 63 80 75 74 78 68 61 54 60 59 52 58 52 52 50 50 50 48 43 48 43 44 45 46 45 47 44 46 42 46 44 43 45 42 44 46 45 44 46 44 42 35 37
161 154 151 166 167 159 158 169 175 162 174 165 169 161 150 170 214 258 258 258 258 251 250 278 213 211 213 214 236 228 227 246 228 219 199 210 211 209 203 196 197 194 194 195 192 185 193 184 187 187 188 190 192 188 189 186 191 186 188 190 185 188 193 191 187 192 190 187 177 179
Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y1 N N N N Y3 Y3 N Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y9 Y3 Y3 Y3 Y3 Y3 Y6 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 282 282 282 282 0 0 434 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551
C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22 C10H22O C10H22S C10H22S C10H22S C10H22S C10H22S C10H22S C10H22S2 C11H10 C11H10 C11H16 C11H16 C11H20 C11H22 C11H22 C11H22 C11H24 C11H24O C11H24S C11H24S C11H24S C11H24S C11H24S C12H10 C12H12 C12H12 C12H12
2,2,6-trimethylheptane 2,3,3-trimethylheptane 2,3,4-trimethylheptane 2,3,5-trimethylheptane 2,3,6-trimethylheptane 2,4,4-trimethylheptane 2,4,5-trimethylheptane 2,4,6-trimethylheptane 2,5,5-trimethylheptane 3,3,4-trimethylheptane 3,3,5-trimethylheptane 3,4,4-trimethylheptane 3,4,5-trimethylheptane 3-isopropyl-2-methylhexane 3,3-diethylhexane 3,4-diethylhexane 3-ethyl-2,2-dimethylhexane 4-ethyl-2,2-dimethylhexane 3-ethyl-2,3-dimethylhexane 4-ethyl-2,3-dimethylhexane 3-ethyl-2,4-dimethylhexane 4-ethyl-2,4-dimethylhexane 3-ethyl-2,5-dimethylhexane 4-ethyl-3,3-dimethylhexane 3-ethyl-3,4-dimethylhexane 2,2,3,3-tetramethylhexane 2,2,3,4-tetramethylhexane 2,2,3,5-tetramethylhexane 2,2,4,4-tetramethylhexane 2,2,4,5-tetramethylhexane 2,2,5,5-tetramethylhexane 2,3,3,4-tetramethylhexane 2,3,3,5-tetramethylhexane 2,3,4,4-tetramethylhexane 2,3,4,5-tetramethylhexane 3,3,4,4-tetramethylhexane 24dimethyl3isopropylpentane 33-diethyl-2-methylpentane 3ethyl-223trimethylpentane 3ethyl-224trimethylpentane 3ethyl-234trimethylpentane 22334-pentamethylpentane 22344-pentamethylpentane decyl-alcohol butyl-hexyl-sulfide ethyl-octyl-sulfide heptyl-propyl-sulfide methyl-nonyl-sulfide pentyl-sulfide 1-decanethiol pentyl-disulfide 1-methylnaphthalene 2-methylnaphthalene pentylbenzene pentamethylbenzene 1-undecyne 1-undecene 1-cyclopentylhexane pentylcyclohexane undecane undecyl-alcohol butyl-heptyl-sulfide decyl-methyl-sulfide ethyl-nonyl-sulfide octyl-propyl-sulfide 1-undecanethiol biphenyl 1-ethylnaphthalene 2-ethylnaphthalene 1,2-dimethylnaphthalene
6.89454 6.87202 6.87417 6.83990 6.88668 6.86062 6.87583 6.91395 6.88204 6.86861 6.85524 6.86721 6.87113 6.76103 6.88355 6.88347 6.86594 6.89526 6.86128 6.86823 6.86682 6.86721 6.87155 6.86288 6.86148 6.84438 6.82410 6.87685 6.73151 6.83561 6.88124 6.84243 6.85043 6.82940 6.87156 6.81164 6.82154 6.85984 6.80710 6.83149 6.81616 6.79659 6.73273 6.92240 6.06898 6.06898 6.06898 6.06898 6.06898 6.99810 6.95810 7.03592 7.06850 6.97833 7.13760 7.13064 6.96662 6.95480 6.94667 6.97220 6.52710 5.9321 5.9321 5.9321 5.9321 7.01220 7.24540 7.03159 7.07566 7.00605
1411.090 1457.800 1451.700 1440.000 1433.700 1418.400 1437.300 1411.300 1429.090 1466.800 1435.430 1464.100 1463.400 1441.000 1490.900 1473.200 1444.400 1416.000 1475.800 1458.000 1455.300 1464.100 1429.300 1473.100 1470.400 1464.030 1443.600 1417.600 1396.000 1400.550 1377.980 1474.940 1429.200 1457.900 1442.800 1492.700 1432.150 1501.800 1490.100 1435.600 1486.620 1474.890 1423.830 1472.010 1421.32 1421.32 1421.32 1421.32 1421.32 1713.600 1756.000 1826.948 1840.268 1639.910 1833.800 1687.200 1562.469 1608.000 1619.110 1569.570 1250.000 1421.32 1421.32 1421.32 1421.32 1767.400 1998.720 1841.320 1880.730 1805.310
202.630 205.000 203.600 203.000 201.900 205.400 203.300 202.300 204.360 205.900 205.490 206.200 204.200 204.700 206.200 204.200 206.400 206.000 206.800 204.700 205.000 206.200 204.100 207.000 207.300 209.060 207.300 206.300 208.700 206.260 207.000 207.720 206.900 207.600 205.300 209.700 206.380 207.700 210.000 208.100 208.320 210.600 210.350 134.160 205.81 205.81 205.81 205.81 205.81 177.000 166.800 195.002 198.395 194.760 198.960 202.000 189.743 191.600 194.510 187.700 100.000 205.81 205.81 205.81 205.81 170.400 202.740 185.280 191.410 171.370
37 43 44 44 42 37 41 36 39 44 40 43 45 45 47 46 40 34 45 44 43 43 39 44 44 41 41 35 35 34 27 45 37 42 40 47 40 49 47 38 47 44 38 103 143 143 143 143 143 109 128 108 105 80 125 80 72 78 78 75 120 155 155 155 155 124 70 120 118 129
177 189 189 190 184 180 185 175 181 191 185 190 192 197 196 193 185 175 194 190 189 190 183 193 192 190 188 177 184 176 165 195 182 191 185 201 186 200 200 185 200 197 190 230 285 285 285 285 285 271 298 278 274 237 270 267 222 234 235 226 243 309 309 309 309 290 272 292 291 269
Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y3 Y2 N N N N N Y3 Y3 Y3 Y3 Y3 Y1 Y9 Y3 Y3 Y3 Y3 Y11 N N N N Y3 Y2 Y3 Y3 Y3
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 282 282 282 282 282 0 0 0 0 0 0 0 0 0 0 0 0 282 282 282 282 0 0 0 0 0
552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621
C12H12 C12H12 C12H12 C12H12 C12H12 C12H12 C12H12 C12H12 C12H18 C12H18 C12H18 C12H18 C12H18 C12H22 C12H24 C12H24 C12H24 C12H26 C12H26O C12H26S C12H26S C12H26S C12H26S C12H26S C12H26S C12H26S2 C13H14 C13H14 C13H14 C13H14 C13H14 C13H20 C13H24 C13H26 C13H26 C13H26 C13H28 C13H28O C13H28S C13H28S C13H28S C13H28S C13H28S C14H16 C14H16 C14H22 C14H22 C14H22 C14H22 C14H26 C14H28 C14H28 C14H28 C14H30 C14H30O C14H30S C14H30S C14H30S C14H30S C14H30S C14H30S C14H30S2 C15H18 C15H18 C15H24 C15H28 C15H30 C15H30 C15H30 C15H32
1,3-dimethylnaphthalene 1,4-dimethylnaphthalene 1,5-dimethylnaphthalene 1,6-dimethylnaphthalene 1,7-dimethylnaphthalene 2,3-dimethylnaphthalene 2,6-dimethylnaphthalene 2,7-dimethylnaphthalene hexylbenzene 1,2,3-triethylbenzene 1,2,4-triethylbenzene 1,3,5-triethylbenzene hexamethylbenzene 1-dodecyne 1-dodecene 1-cyclopentylheptane 1-cyclohexylhexane dodecane dodecyl-alcohol butyl-octyl-sulfide decyl-ethyl-sulfide hexyl-sulfide methyl-undecyl-sulfide nonyl-propyl-sulfide 1-dodecanethiol hexyl-disulfide 1-propylnaphthalene 2-propylnaphthalene 2ethyl-3-methylnaphthalene 2ethyl-6-methylnaphthalene 2ethyl-7-methylnaphthalene 1-phenylheptane 1-tridecyne 1-tridecene 1-cyclopentyloctane 1-cyclohexylheptane tridecane 1-tridecanol butyl-nonyl-sulfide decyl-propyl-sulfide dodecyl-methyl-sulfide ethyl-undecyl-sulfide 1-tridecanethiol 1-butylnaphthalene 2-butylnaphthalene 1-phenyloctane 1,2,3,4-tetraethylbenzene 1,2,3,5-tetraethylbenzene 1,2,4,5-tetraethylbenzene 1-tetradecyne 1-tetradecene 1-cyclopentylnonane 1-cyclohexyloctane tetradecane 1-tetradecanol butyl-decyl-sulfide dodecyl-ethyl-sulfide heptyl-sulfide methyl-tridecyl-sulfide propyl-undecyl-sulfide 1-tetradecanethiol heptyl-disulfide 1-pentylnaphthalene 2-pentylnaphthalene 1-phenylnonane 1-pentadecyne 1-pentadecene 1-cyclopentyldecane 1-cyclohexylnonane pentadecane
7.26980 7.26980 7.04930 7.26980 7.05640 7.05270 7.04600 7.04780 6.98530 7.58877 7.57869 7.6044 7.15544 7.16929 6.97522 6.97430 6.95550 6.99795 7.53986 6.62900 5.81251 5.81251 5.81251 5.81251 7.02440 6.96320 7.05940 7.06050 7.02851 7.09303 7.09303 7.00060 7.15674 6.98563 6.98960 6.97430 7.00756 7.41181 5.70756 5.70756 5.70756 5.70756 7.03700 4.96310 6.61170 7.00860 7.65632 7.63235 7.63723 7.23227 7.02005 6.99600 6.98970 7.01300 6.67410 5.61512 5.61512 5.61512 5.61512 5.61512 7.04850 6.96020 7.07430 7.06000 7.02450 7.20553 7.01555 7.00349 7.00060 7.02359
2076.000 2076.000 1855.000 2076.000 1879.000 1869.000 1841.000 1846.000 1700.500 2133.55 2133.558 2133.55 2133.55 1771.100 1619.862 1672.200 1681.000 1639.270 2003.290 1408.000 1421.32 1421.32 1421.32 1421.32 1817.800 1824.900 1890.800 1895.500 1895.5 1895.5 1895.5 1761.200 1834.400 1674.741 1729.800 1743.000 1690.670 2003.29 1421.32 1421.32 1421.32 1421.32 1864.900 656.800 1591.400 1812.200 2312.864 2312.86 2312.86 1927.700 1745.001 1779.000 1799.300 1740.880 1204.500 1421.32 1421.32 1421.32 1421.32 1421.32 1909.200 1878.600 2000.000 2005.900 1862.600 1972.070 1781.974 1825.748 1850.200 1789.950
210.000 210.000 180.000 210.000 180.000 180.000 180.000 180.000 188.200 235.68 235.681 235.68 235.68 198.000 182.271 184.400 187.800 181.835 168.130 116.060 205.81 205.81 205.81 205.81 164.100 153.500 180.000 180.000 180. 180. 180. 181.500 195.000 175.214 177.300 180.900 174.220 168.13 205.81 205.81 205.81 205.81 157.900 26.000 138.500 174.600 236.261 236.26 236.26 191.000 170.475 170.200 174.300 167.720 54.000 205.81 205.81 205.81 205.81 205.81 151.900 139.800 170.000 170.000 167.500 188.000 162.582 163.479 167.600 161.380
148 148 150 148 150 155 150 150 96 146 46 145 178 113 89 95 94 91 138 134 166 166 166 166 138 153 155 160 196 192 192 112 120 105 112 111 107 202 177 177 177 177 151 139 145 127 66 174 174 145 119 126 126 122 130 187 187 187 187 187 164 175 185 190 142 140 134 141 141 136
310 310 313 310 320 315 310 310 258 247 218 246 300 288 244 256 257 247 214 307 333 333 333 333 308 328 335 335 312 303 303 279 308 264 276 278 267 304 355 355 355 355 325 292 291 298 248 282 282 326 283 296 298 286 264 376 376 376 376 376 341 357 360 370 316 349 302 314 316 304
Y4 Y4 Y8 Y4 Y4 Y4 Y8 Y4 Y3 N Y6 N N Y9 Y3 Y3 Y3 Y3 Y4 Y1 N N N N Y3 Y3 Y8 Y8 N N N Y3 Y9 Y3 Y3 Y3 Y3 N N N N N Y3 Y3 Y3 Y3 Y6 N N Y9 Y3 Y3 Y3 Y3 Y4 N N N N N Y3 Y3 Y8 Y8 Y3 Y9 Y3 Y3 Y3 Y3
0 0 0 0 0 0 0 0 0 562 0 562 562 0 0 0 0 0 0 0 282 282 282 282 0 0 0 0 579 579 579 0 0 0 0 0 0 570 282 282 282 282 0 0 0 0 0 598 598 0 0 0 0 0 0 282 282 282 282 282 0 0 0 0 0 0 0 0 0 0
622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691
C15H32O C15H32S C15H32S C15H32S C15H32S C15H32S C16H26 C16H26 C16H30 C16H32 C16H32 C16H32 C16H34 C16H34O C16H34S C16H34S C16H34S C16H34S C16H34S C16H34S C16H34S2 C17H28 C17H32 C17H34 C17H34 C17H34 C17H36 C17H36O C17H36S C17H36S C17H36S C17H36S C17H36S C18H30 C18H30 C18H34 C18H36 C18H36 C18H36 C18H38 C18H38O C18H38S C18H38S C18H38S C18H38S C18H38S C18H38S C18H38S2 C19H32 C19H36 C19H38 C19H38 C19H38 C19H40 C19H40O C19H40S C19H40S C19H40S C19H40S C19H40S C20H34 C20H38 C20H40 C20H40 C20H40 C20H42 C20H42O C20H42S C20H42S C20H42S
1-pentadecanol butyl-undecyl-sulfide dodecyl-propyl-sulfide ethyl-tridecyl-sulfide methyl-tetradecyl-sulfide 1-pentadecanethiol 1-phenyldecane pentaethylbenzene 1-hexadecyne 1-hexadecene 1-cyclopentylundecane 1-cyclohexyldecane hexadecane 1-hexadecanol butyl-dodecyl-sulfide ethyl-tetradecyl-sulfide methyl-pentadecyl-sulfide octyl-sulfide propyl-tridecyl-sulfide 1-hexadecanethiol octyl-disulfide 1-phenylundecane 1-heptadecyne 1-heptadecene 1-cyclopentyldodecane 1-cyclohexylundecane heptadecane 1-heptadecanol butyl-tridecyl-sulfide ethyl-pentadecyl-sulfide hexadecyl-methyl-sulfide propyl-tetradecyl-sulfide 1-heptadecanethiol 1-phenyldodecane hexaethylbenzene 1-octadecyne 1-octadecene 1-cycopentyltridecane 1-cyclohexyldodecane octadecane 1-octadecanol butyl-tetradecyl-sulfide ethyl-hexadecyl-sulfide heptadecyl-methyl-sulfide nonyl-sulfide pentadecyl-propyl-sulfide 1-octadecanethiol nonyl-disulfide 1-phenyltridecane 1-nonadecyne 1-nonadecene 1-cyclopentyltetradecane 1-cyclohexyltridecane nonadecane 1-nonadecanol butyl-pentadecyl-sulfide ethyl-heptadecyl-sulfide hexadecyl-propyl-sulfide methyl-octadecyl-sulfide 1-nonadecanethiol 1-phenyltetradecane 1-eicosyne 1-eicosene 1-cyclopentylpentadecane 1-cyclohexyltetradecane eicosane 1-eicosanol butyl-hexadecyl-sulfide decyl-sulfide ethyl-octadecyl-sulfide
6.23737 5.53347 5.53347 5.53347 5.53347 7.06120 7.03642 8.29495 7.47511 7.04437 7.02000 7.01852 7.02867 6.15860 5.46123 5.46123 5.46123 5.46123 5.46123 7.07500 6.95790 7.05090 7.48829 7.03925 7.03190 7.02900 7.01430 6.78200 5.39727 5.39727 5.39727 5.39727 7.08100 7.06930 7.50288 7.50787 7.04518 7.04730 7.03620 7.00220 6.81400 5.3364 5.3364 5.3364 5.3364 5.3364 7.09600 6.96050 7.08430 7.51711 7.05710 7.06300 7.04690 7.01530 6.60769 5.28246 5.28246 5.28246 5.28246 7.10500 7.10100 7.52336 7.05770 7.08300 7.06100 7.15220 6.87200 5.23473 5.23473 5.23473
1204.5 1421.32 1421.32 1421.32 1421.32 1951.000 1904.132 2972.770 2154.700 1843.581 1869.200 1899.242 1830.510 1380.000 1421.32 1421.32 1421.32 1421.32 1421.32 1990.000 1935.600 1944.100 2216.200 1877.910 1909.100 1939.700 1865.100 1595.000 1421.32 1421.32 1421.32 1421.32 2027.000 1981.600 2360.733 2281.100 1917.900 1947.000 1976.700 1894.300 1632.000 1421.32 1421.32 1421.32 1421.32 1421.32 2061.000 1981.500 2013.900 2336.700 1961.600 1982.000 2012.200 1932.800 1632 1421.32 1421.32 1421.32 1421.32 2094.000 2042.000 2386.300 1995.300 2016.000 2046.000 2032.700 1699.000 1421.32 1421.32 1421.32
54. 205.81 205.81 205.81 205.81 146.000 160.318 272.052 185.000 157.917 156.000 161.348 154.450 91.000 205.81 205.81 205.81 205.81 205.81 140.000 129.000 153.000 182.000 151.530 149.000 154.500 149.200 85.060 205.81 205.81 205.81 205.81 135.000 145.500 212.652 180.000 145.900 141.900 148.000 143.300 80.060 205.81 205.81 205.81 205.81 205.81 129.000 117.000 137.900 177.000 141.200 135.000 141.500 137.600 80.06 205.81 205.81 205.81 205.81 124.000 130.000 174.000 136.000 128.000 135.000 132.100 70.060 205.81 205.81 205.81
230 196 196 196 196 176 155 86 172 147 154 154 149 145 204 204 204 204 204 188 196 168 184 159 168 167 161 191 212 212 212 212 198 181 134 196 171 180 179 172 201 220 220 220 220 220 209 215 193 208 183 192 191 184 274 227 227 227 227 219 205 219 193 203 203 198 219 233 233 233
339 397 397 397 397 356 333 277 367 319 330 333 321 190 416 416 416 416 416 370 383 349 384 335 346 349 337 383 434 434 434 434 384 363 298 400 350 361 364 352 385 452 452 452 452 452 397 407 377 416 364 375 378 366 395 468 468 468 468 409 390 431 378 388 392 379 406 484 484 484
N N N N N Y3 Y3 Y6 Y9 Y3 Y3 Y3 Y3 Y4 N N N N N Y3 Y3 Y3 Y9 Y3 Y3 Y3 Y3 Y1 N N N N Y3 Y3 Y6 Y9 Y3 Y3 Y3 Y3 Y1 N N N N N Y3 Y3 Y3 Y9 Y3 Y3 Y3 Y3 N N N N N Y3 Y3 Y9 Y3 Y3 Y3 Y3 Y1 N N N
606 282 282 282 282 0 0 0 0 0 0 0 0 0 282 282 282 282 282 0 0 0 0 0 0 0 0 0 282 282 282 282 0 0 0 0 0 0 0 0 0 282 282 282 282 282 0 0 0 0 0 0 0 0 662 282 282 282 282 0 0 0 0 0 0 0 0 282 282 282
692 693 694 695 696 697 698 699 700
C20H42S C20H42S C20H42S C20H42S2 C21H36 C21H42 C21H42 C22H38 C22H44
heptadecyl-propyl-sulfide methyl-nonadecyl-sulfide 1-eicosanethiol decyl-disulfide 1-phenylpentadecane 1-cyclopentylhexadecane 1-cyclohexylpentadecane 1-phenylhexadecane 1-cyclohexylhexadecane
5.23473 5.23473 7.11400 6.97200 7.11400 7.10300 7.07200 7.14000 7.07400
1421.32 1421.32 2125.000 2019.000 2067.000 2048.000 2078.000 2095.000 2099.000
205.81 205.81 119.000 103.100 122.000 121.000 129.000 114.000 122.000
233 233 229 235 216 215 213 227 224
484 484 421 429 403 401 404 415 416
N N Y3 Y3 Y3 Y3 Y3 Y3 Y3
282 282 0 0 0 0 0 0 0
