1CCL4 CARBON-TETRACHLORIDE 153.823 139.7338 -.2045003 5.867871E-04 250 379.84 298.16 131.36 Y 2CCL3F TRICHLOROFLUOROMETHANE 137.368 111.6071 -.036574 2.37451E-04 162 327.1 297.1 121.57 Y 3CCL2F2 DICHLORODIFLUOROMETHANE 120.913 97.75903 -2.939031E-02 3.008273E-04 115.4 273.29 243.29 108.22 Y 4CCLF3 CHLOROTRIFLUOROMETHANE 104.459 88.98669 -3.477475E-02 4.402948E-04 92 221.7 233.16 104.46 Y 5CF4 CARBON-TETRAFLUORIDE 88.005 86.44433 -.0761166 8.454563E-04 86.4 175.15 173.16 98.3 Y 6CO CARBON-MONOXIDE 28.01 61.53487 -.1769687 2.054408E-03 68.1 111.61 81.61 60.84 Y 7CO2 CARBON-DIOXIDE 44.01 98.63061 -.2941525 9.330371E-04 216.56 258.57 222.2 79.35 Y 8COS CARBONYL-SULFIDE 60.07 71.81666 -2.947146E-02 2.376674E-04 134.3 252.91 300 84.1600N 9CS2 CARBON-DISULFIDE 76.131 68.39258 -4.567723E-02 2.432064E-04 161.3 349 298.16 76.51 Y 10CHCL3 CHLOROFORM 119.377 110.5378 -.1215667 4.410741E-04 209.6 364.33 298.16 113.89 Y 11CHCL2F DICHLOROFLUOROMETHANE 102.923 98.07049 -2.611888E-02 2.216354E-04 138 312.07 282.07 108.17 Y 12CHCLF2 CHLORODIFLUOROMETHANE 86.469 85.63914 -2.897319E-02 2.952812E-04 113 262.38 233.16 94.7699Y 13CHF3 TRIFLUOROMETHANE 70.014 79.87337 -5.368561E-02 4.711339E-04 110 221 173.16 84.79 Y 14CHI3 TRIIODOMETHANE 393.732 194.6557 -.0915083 1.85804E-04 396.16 521.1601 396.16 187.27 N 15CHNS ISOTHIOCYANIC-ACID 59.086 0 0 0 0 0 0 0 N 16CH2CL2 DICHLOROMETHANE 84.933 117.1086 -.1496366 6.162757E-04 178.1 343.15 298.16 127.4 Y 17CH2CLF CHLOROFLUOROMETHANE 68.478 86.91451 -3.602483E-02 2.656122E-04 140.16 294.06 264.06 95.8 N 18CH2F2 DIFLUOROMETHANE 52.024 70.30925 -2.507603E-02 2.866602E-04 101.71 251.49 221.49 78.65 N 19CH2I2 DIIODOMETHANE 267.835 185.3474 -.1805529 4.687415E-04 279.26 485.16 298.16 172.77 N 20CH2O FORMALDEHYDE 30.026 77.73247 -5.666725E-02 3.239887E-04 156 279.55 249.55 83.74 Y 21CH2O2 FORMIC-ACID 46.026 133.4323 -.3475111 7.857561E-04 281.5 403.92 298.16 99.6 Y 22CH3BR BROMOMETHANE 94.939 101.7486 -4.597018E-02 2.495379E-04 179.5 307.5 277.5 108.23 Y 23CH3CL CHLOROMETHANE 50.488 72.76645 -4.402394E-02 2.294864E-04 175.4 279.15 249.15 76.09 Y 24CH3F FLUOROMETHANE 34.033 64.32159 -5.286365E-02 3.652702E-04 131.4 224.79 194.79 67.9 N 25CH3I IODOMETHANE 141.939 114.0235 -.1659811 5.807807E-04 206.7 345.58 298.16 116.55 N 26CH3NO2 NITROMETHANE 61.04 114.6402 -.1749068 4.96451E-04 244.6 403.99 303.15 107.8 Y 27CH3NO2 METHYL-NITRITE 61.04 0 0 0 0 0 0 0 N 28CH3NO3 METHYL-NITRATE 77.04 0 0 0 0 0 0 0 N 29CH4 METHANE 16.043 54.87106 -9.467751E-02 8.592909E-04 90.7 141.62 111.62 55.08 Y 30CH4O METHANOL 32.042 74.86274 -.102315 4.066567E-04 175.5 367.77 298.16 80.75 Y 31CH4S METHANETHIOL 48.103 82.76998 -2.224833E-02 1.754183E-04 150 309.1 252.06 88.4100Y 32CH5N METHYLAMINE 31.057 97.01632 -7.235825E-02 3.491655E-04 179.7 296.76 259.26 101.8 Y 33C2CL4 TETRACHLOROETHENE 165.834 145.6195 -.1795366 5.122159E-04 251 424.22 298.16 138.14 Y 34C2CL6 HEXACHLOROETHANE 236.74 0 0 0 0 0 0 0 N 35C2CL3F3 112TRICHLOROTRIFLUOROETHANE 187.376 189.2332 -.3660733 1.07085E-03 238.2 350.75 298.16 175.76 Y 36C2CL2F4 12DICHLOROTETRAFLUOROETHANE 170.921 161.6632 -.1045124 5.073691E-04 179 307.3 273.16 170.92 Y 37C2CLF5 CHLOROPENTAFLUOROETHANE 154.467 0 0 0 0 0 0 0 N 38C2F4 TETRAFLUOROETHENE 100.015 0 0 0 0 0 0 0 N 39C2F6 HEXAFLUOROETHANE 138.012 139.8775 -.2650019 1.130185E-03 172.4 224.9 194.9 131.25 Y 40C2N2 CYANOGEN 52.035 0 0 0 0 0 0 0 N 41C2HCL3 TRICHLOROETHENE 131.388 143.1514 -.1278916 5.224535E-04 186.8 391.15 298.16 152.28 Y 42C2HCL5 PENTACHLOROETHANE 202.294 169.0124 -.1664004 4.937428E-04 244 463.47 298.16 164.03 N 43C2HF3 TRIFLUOROETHENE 82.025 70.46147 -1.726716E-02 2.454607E-04 94.53 251.01 221.01 78.46 N 44C2H2 ACETYLENE(ETHYNE) 26.038 0 0 0 0 0 0 0 N 45C2H2CL2 1,1-DICHLOROETHENE 96.944 108.4602 -.1156804 5.635153E-04 155.92 334.71 298.16 123.8 Y 46C2H2CL2 CIS-1,2-DICHLOROETHENE 96.944 83.08283 -9.751825E-02 3.746989E-04 192.7 363.45 298.16 87.64 Y 47C2H2CL2 TRANS-1,2-DICHLOROETHENE 96.944 87.52022 -.1394666 4.474165E-04 223 351.5 298.16 85.99 Y 48C2H2CL4 1,1,2,2-TETRACHLOROETHANE 167.849 149.8382 -.1986963 5.671254E-04 237 449.15 298.16 142 Y 49C2H2F2 1,1-DIFLUOROETHENE 64.0350 61.54249 -5.213011E-02 3.643487E-04 129 217.46 173.16 63.52 Y 50C2H2F2 CIS-1,2-DIFLUOROETHENE 64.0350 79.3938 -2.223988E-02 2.539564E-04 107.9 277.86 247.86 89.2699N 51C2H2F2 TRANS-1,2-DIFLUOROETHENE 64.0350 79.3938 -2.223988E-02 2.539564E-04 107.9 277.86 247.86 89.2699N 52C2H2O KETENE 42.037 0 0 0 0 0 0 0 N 53C2H3BR BROMOETHYLENE 106.949 95.70229 -.0195043 1.908697E-04 133.66 318.96 288.96 105.83 N 54C2H3CL CHLOROETHENE 62.499 69.85845 -1.620966E-02 1.77394E-04 119.4 289.4 273.16 78.44 Y 55C2H3CL3 1,1,2-TRICHLOROETHANE 133.404 148.9297 -.175179 5.363461E-04 235.8 416.55 298.16 145.13 N 56C2H3CLO ACETYL-CHLORIDE 78.498 102.9433 -.0915796 4.463516E-04 160.2 353.9 273.16 111.7 Y 57C2H3F FLUOROETHENE 46.044 48.64886 -3.143151E-02 2.315208E-04 130 231.02 193.16 51.25 Y 58C2H3F3 1,1,1-TRIFLUOROETHANE 84.041 77.70468 -8.015932E-02 4.070817E-04 161.9 255.74 225.74 80.36 N 59C2H3N ACETONITRILE 41.052 96.79542 -.1937755 5.601804E-04 229.3 382.75 298.16 89.4100Y 60C2H4 ETHYLENE 28.054 62.89727 -3.800666E-02 3.790448E-04 104 199.39 169.39 67.33 Y 61C2H4BR2 1,2-DIBROMOETHANE 187.861 146.2965 -.1447319 3.844239E-04 283.3 434.64 298.16 137.14 Y 62C2H4CL2 1,1-DICHLOROETHANE 98.96 117.1937 -.1141042 4.972234E-04 176.2 360.65 298.16 127.66 Y 63C2H4CL2 1,2-DICHLOROETHANE 98.96 130.2376 -.177718 5.385718E-04 237.5 387.14 298.16 125.68 Y 64C2H4F2 1,1-DIFLUOROETHANE 66.05 83.2697 -5.495345E-02 3.166851E-04 156.2 277.15 247.15 88.99 N 65C2H4I2 1,2-DIIODOETHANE 281.862 186.357 -9.338316E-02 2.149147E-04 356.16 503.16 356.16 180.02 N 66C2H4O ETHYLENE-OXIDE 44.053 79.81366 -2.751244E-02 1.822322E-04 161 313.81 275.66 86.08 Y 67C2H4O ACETALDEHYDE 44.053 54.6987 -2.208441E-02 1.47634E-04 150.2 323.75 293.75 60.84 Y 68C2H4O2 ACETIC-ACID 60.052 155.4802 -.3265951 7.44199E-04 289.8 421.29 294.7 123.35 Y 69C2H4O2 METHYL-FORMATE 60.052 0 0 0 0 0 0 0 N 70C2H4OS THIOACETIC-ACID 76.113 0 0 0 0 0 0 0 N 71C2H4S THIACYCLOPROPANE 60.114 81.29564 -8.171653E-02 3.707662E-04 165.37 358.07 298.16 90.17 N 72C2H5BR BROMOETHANE 108.965 89.6772 -5.956087E-02 3.317955E-04 154.6 341.73 298.16 101.34 Y 73C2H5CL CHLOROETHANE 64.514 95.86747 -2.269405E-02 2.033811E-04 136.8 315.5 285.5 105.8 Y 74C2H5F FLUOROETHANE 48.06 77.39183 -3.338458E-02 2.673745E-04 129.9 265.45 235.45 84.2699N 75C2H5I IODOETHANE 155.966 116.5589 -.1014164 4.703552E-04 165 375.59 298.16 128.63 N 76C2H5N ETHYLENIMINE 43.068 104.1616 -.1580607 5.684135E-04 195.16 358.55 298.16 107.97 Y 77C2H5NO2 NITROETHANE 75.067 0 0 0 0 0 0 0 N 78C2H5NO3 ETHYL-NITRATE 91.066 0 0 0 0 0 0 0 N 79C2H6 ETHANE 30.069 66.3402 -2.086688E-02 3.042165E-04 89.9 214.63 184.63 72.77 Y 80C2H6O METHYL-ETHER 46.069 95.20254 -.0286597 2.499103E-04 131.7 279.16 245.46 103.15 Y 81C2H6O ETHYL-ALCOHOL 46.069 100.922 -.1118386 4.9854E-04 159.1 381.45 298.16 112.22 Y 82C2H6O2 ETHYLENE-GLYCOL 62.068 153.0029 -.114819 3.316842E-04 260.2 500.49 298.16 148.34 Y 83C2H6S METHYL-SULFIDE 62.129 106.7474 -.1163262 5.08461E-04 174.9 340.66 298.16 117.3 Y 84C2H6S ETHANETHIOL 62.129 99.36189 -.0630197 4.263051E-04 125.3 338.73 298.16 118.05 Y 85C2H6S2 METHYL-DISULFIDE 94.189 138.1671 -.1070533 4.395555E-04 188.44 412.89 298.16 146.28 Y 86C2H7N ETHYLAMINE 45.084 122.6822 -6.929905E-02 3.23034E-04 192 319.79 289.79 129.71 Y 87C2H7N DIMETHYLAMINE 45.084 129.4855 -7.804945E-02 3.848209E-04 181 310.09 260.76 135.43 Y 88C3H3N ACRYLONITRILE 53.063 106.7761 -.1561835 5.650177E-04 189.5 380.5 298.16 111.06 Y 89C3H4 ALLENE(PROPADIENE) 40.065 91.28093 -4.077513E-02 3.037561E-04 136.9 271.15 241.15 99.03 N 90C3H4 PROPYNE(METHYLACETYLENE) 40.065 100.2229 -6.370393E-02 3.366783E-04 170.5 279.75 249.75 105.33 N 91C3H4O2 ACRYLIC-ACID 72.0630 178.0107 -.3033134 7.17819E-04 285 444 298.16 151.12 Y 92C3H5BR 3-BROMO-1-PROPENE 120.976 113.8498 -7.986015E-02 4.197698E-04 153.76 373.16 298.16 127.66 N 93C3H5CL 3-CHLORO-1-PROPENE 76.525 101.2799 -7.590914E-02 4.406724E-04 138.7 348.38 298.16 117.68 N 94C3H5CL3 1,2,3-TRICHLOROPROPANE 147.431 191.8314 -.224638 6.131987E-04 258.5 459 298.16 179.87 Y 95C3H5I 3-IODO-1-PROPENE 167.977 130.12 -.1025281 4.507221E-04 173.86 405.16 298.16 140.55 N 96C3H5N PROPIONITRILE 55.079 141.6414 -.1793126 6.793709E-04 180.3 400.3 298.16 149.7 Y 97C3H6 PROPENE 42.08 82.1637 -1.281834E-02 2.497088E-04 87.9 255.65 225.65 91.7699Y 98C3H6 CYCLOPROPANE 42.08 76.03351 -.033698 2.376279E-04 145.7 270.29 240.29 81.64 Y 99C3H6BR2 1,2-DIBROMOPROPANE 201.888 157.7165 -.10292 3.785845E-04 217.96 443.16 298.16 161.51 Y 100C3H6CL2 1,2-DICHLOROPROPANE 112.986 143.738 -.1540802 6.283672E-04 172.7 399.5 298.16 154.79 Y 101C3H6CL2 1,3-DICHLOROPROPANE 112.986 137.7914 -.1141895 4.839384E-04 173.66 423.56 298.16 147.96 N 102C3H6CL2 2,2-DICHLOROPROPANE 112.986 133.5484 -.2032074 6.065482E-04 239.36 372.46 298.16 127.37 N 103C3H6I2 1,2-DIIODOPROPANE 295.889 196.4658 -.145651 4.212655E-04 253.16 530.1601 298.16 190.89 N 104C3H6O PROPYLENE-OXIDE 58.08 113.0834 -.1508537 6.728385E-04 161 337.25 298.16 127.66 N 105C3H6O ALLYL-ALCOHOL 58.08 107.3626 -9.012134E-02 4.559728E-04 144 399.65 298.16 121.56 N 106C3H6O PROPIONALDEHYDE 58.08 123.74 -.153727 5.906052E-04 193 351.95 273.16 126.44 Y 107C3H6O ACETONE 58.08 117.8108 -.1592447 6.338313E-04 178.2 359.35 298.16 126.96 Y 108C3H6S THIACYCLOBUTANE 74.14 109.2008 -.1118223 4.124291E-04 199.96 398.13 298.16 113.29 Y 109C3H7BR 1-BROMOPROPANE 122.992 127.8446 -9.818169E-02 4.779604E-04 163.16 374.16 298.16 141.44 Y 110C3H7BR 2-BROMOPROPANE 122.992 114.7829 -.1108241 4.650575E-04 184.16 362.56 298.16 123.39 N 111C3H7CL 1-CHLOROPROPANE 78.541 116.3806 -9.680957E-02 5.096086E-04 150.4 349.73 298.16 132.73 Y 112C3H7CL 2-CHLOROPROPANE 78.541 99.73264 -9.467825E-02 4.740315E-04 156 337.95 298.16 113.47 N 113C3H7F 1-FLUOROPROPANE 62.087 87.49543 -1.991919E-02 2.236503E-04 114.16 299.95 269.95 98.17 N 114C3H7F 2-FLUOROPROPANE 62.087 87.22685 -3.381606E-02 2.517858E-04 139.8 293.81 263.81 95.7 N 115C3H7I 1-IODOPROPANE 169.992 129.9818 -.1014287 4.50704E-04 172.16 405.56 298.16 140.71 N 116C3H7I 2-IODOPROPANE 169.992 126.7354 -.1120132 4.654675E-04 183.06 392.56 298.16 135.47 N 117C3H7NO2 1-NITROPROPANE 89.094 0 0 0 0 0 0 0 N 118C3H7NO2 2-NITROPROPANE 89.094 0 0 0 0 0 0 0 N 119C3H7NO3 PROPYL-NITRATE 105.093 0 0 0 0 0 0 0 N 120C3H7NO3 ISOPROPYL-NITRATE 105.093 0 0 0 0 0 0 0 N 121C3H8 PROPANE 44.096 87.31411 -1.235905E-02 2.589591E-04 85.5 261.14 231.14 98.03 Y 122C3H8O ETHYL-METHYL-ETHER 60.096 123.0474 -3.599155E-02 3.026035E-04 134 310.76 280.76 136.53 N 123C3H8O PROPYL-ALCOHOL 60.096 119.3875 -.1002081 5.013639E-04 146.9 400.4 298.16 134.62 Y 124C3H8O ISOPROPYL-ALCOHOL 60.096 146.1573 -.1928237 7.295946E-04 184.7 385.45 298.16 154.21 Y 125C3H8S ETHYL-METHYL-SULFIDE 76.156 131.5528 -.1219166 5.545763E-04 167.2 370.15 298.18 144.92 Y 126C3H8S 1-PROPANETHIOL 76.156 129.5992 -.100511 4.992234E-04 159.98 369.15 298.16 144.35 N 127C3H8S 2-PROPANETHIOL 76.156 126.6698 -8.971922E-02 5.129317E-04 142.62 355.7 298.16 145.46 Y 128C3H9N PROPYLAMINE 59.111 158.0876 -.2067 7.952971E-04 190 352.15 298.16 167.43 N 129C3H9N TRIMETHYLAMINE 59.111 121.1725 -4.684724E-02 3.042854E-04 156 306.02 270.46 130.69 Y 130C4F8 OCTAFLUOROCYCLOBUTANE 200.031 220.3123 -.3325862 1.051871E-03 232.16 297.16 246.06 202.23 Y 131C4H2 BUTADIYNE(BIACETYLENE) 50.06 0 0 0 0 0 0 0 N 132C4H4 1BUTEN3YNE(VINYLACETYLENE) 52.076 0 0 0 0 0 0 0 N 133C4H4O FURAN 68.075 107.4003 -.1306429 5.279448E-04 187.5 334.5 298.16 115.39 Y 134C4H4S THIOPHENE 84.136 127.2085 -.1580784 4.92831E-04 234.9 387.01 298.16 124.44 N 135C4H6 1,2-BUTADIENE 54.091 119.747 -3.520677E-02 2.876424E-04 137 314 284 132.7 N 136C4H6 1,3-BUTADIENE 54.091 113.862 -5.658803E-02 3.276367E-04 164.2 298.74 268.74 122.25 Y 137C4H6 1-BUTYNE(ETHYLACETYLENE) 54.091 119.8088 -3.286722E-02 2.597137E-04 147.4 311.21 275.01 130.35 Y 138C4H6 2-BUTYNE(DIMETHYLACETYLENE) 54.091 158.9053 -.3064521 8.876576E-04 240.9 330.13 298.16 146.83 N 139C4H6 CYCLOBUTENE 54.091 72.56911 -2.482804E-02 1.724106E-04 153.76 305.75 275.75 78.77 N 140C4H6O3 ACETIC-ANHYDRIDE 102.089 182.4041 -.2016669 7.112249E-04 199 439.55 293.16 185.9 Y 141C4H7N BUTYRONITRILE 69.106 133.2964 -.1224283 5.369557E-04 161 420.37 298.16 145.71 N 142C4H7N ISOBUTYRONITRILE 69.106 128.0073 -.1665139 5.721141E-04 201.66 406.96 298.16 130.18 N 143C4H8 1-BUTENE 56.107 103.2326 -9.500675E-03 2.335311E-04 87.8 296.92 266.92 116.95 Y 144C4H8 2-BUTENE,CIS 56.107 111.0482 -3.304991E-02 2.764291E-04 134.3 306.88 276.9 122.87 Y 145C4H8 2-BUTENE,TRANS 56.107 112.708 -.056768 3.179266E-04 167.6 304.03 274.03 120.95 Y 146C4H8 2-METHYLPROPENE 56.107 113.1346 -.0361507 3.012758E-04 132.8 296.29 266.29 124.67 N 147C4H8 CYCLOBUTANE 56.107 99.08068 -4.450038E-02 2.343171E-04 182.4 315.66 285.66 105.48 Y 148C4H8BR2 1,2-DIBROMOBUTANE 215.915 161.1101 -9.136334E-02 3.548482E-04 207.76 469.46 298.16 166.44 N 149C4H8BR2 2,3-DIBROMOBUTANE 215.915 164.727 -.1186077 3.856805E-04 238.66 464.16 298.16 164.31 N 150C4H8I2 1,2-DIIODOBUTANE 309.916 194.1194 -.1804673 4.669021E-04 279.06 506.76 298.16 181.47 N 151C4H8O BUTYRALDEHYDE 72.107 146.5049 -.1421053 6.040951E-04 176.8 377.93 298.16 158.49 Y 152C4H8O 2-BUTANONE 72.107 150.1966 -.1748103 6.760448E-04 186.5 382.64 298.16 158.92 Y 153C4H8O2 P-DIOXANE 88.106 0 0 0 0 0 0 0 N 154C4H8O2 ETHYL-ACETATE 88.106 162.9878 -.2070544 7.772829E-04 189.6 379.84 298.16 171.1 Y 155C4H8S THIACYCLOPENTANE 88.167 130.8822 -9.508844E-02 4.108759E-04 177 424.6 298.16 140.19 Y 156C4H9BR 1-BROMOBUTANE 137.019 162.0561 -.1061332 5.264801E-04 160.76 404.76 298.16 178.12 Y 157C4H9BR 2-BROMOBUTANE 137.019 123.6349 -8.342158E-02 4.14578E-04 161.26 394.36 298.16 136.2 N 158C4H9BR 2-BROMO-2-METHYLPROPANE 137.019 138.7352 -.2054841 5.756577E-04 256.96 376.41 298.16 128.97 N 159C4H9CL 1-CHLOROBUTANE 92.568 116.3484 -9.284468E-02 4.722353E-04 150.1 381.6 298.16 131.06 N 160C4H9CL 2-CHLOROBUTANE 92.568 110.9378 -7.858709E-02 4.412217E-04 141.8 371.15 298.16 126.85 N 161C4H9CL 1-CHLORO-2-METHYLPROPANE 92.568 111.2874 -8.632568E-02 4.670462E-04 142.86 372.16 298.16 127.25 N 162C4H9CL 2-CHLORO-2-METHYLPROPANE 92.568 131.2157 -.2455182 6.921023E-04 247.8 353.91 298.16 119.9 N 163C4H9I 2-IODO-2-METHYLPROPANE 184.019 142.7281 -.1683718 5.236814E-04 234.96 403.16 298.16 139.74 N 164C4H9N PYRROLIDINE 71.122 152.5666 -.143647 5.194043E-04 213.16 388.95 298.16 156.61 Y 165C4H9NO2 1-NITROBUTANE 103.12 0 0 0 0 0 0 0 N 166C4H9NO2 2-NITROBUTANE 103.12 0 0 0 0 0 0 0 N 167C4H10 BUTANE 58.123 120.0291 -3.782999E-02 3.092889E-04 134.8 302.98 272.98 132.52 Y 168C4H10 2-METHYLPROPANE(ISOBUTANE) 58.123 114.874 -2.630994E-02 2.965968E-04 113.6 291.52 261.52 127.99 Y 169C4H10O ETHYL-ETHER 74.122 152.2542 -.183636 8.598225E-04 156.9 337.65 298.16 173.45 Y 170C4H10O METHYL-PROPYL-ETHER 74.122 144.4045 -.1639122 7.74744E-04 156.87 341.72 298.16 164.07 N 171C4H10O METHYL-ISOPROPYL-ETHER 74.122 141.8667 -.165266 7.850941E-04 156.87 333.92 298.16 161.88 Y 172C4H10O BUTYL-ALCOHOL 74.122 162.6767 -.1412138 6.232696E-04 165.2 420.61 298.16 177.15 Y 173C4H10O SEC-BUTYL-ALCOHOL 74.122 182.6186 -.1718055 7.828498E-04 158.5 402.8 298.16 201.97 N 174C4H10O TERT-BUTYL-ALCOHOL 74.122 248.6719 -.2959718 7.251639E-04 298.8 385.88 300.05 224.96 Y 175C4H10S ETHYLSULFIDE 90.183 157.394 -.1286398 5.809431E-04 169.2 395.26 298.16 171.53 Y 176C4H10S ISOPROPYL-METHYL-SULFIDE 90.183 150.789 -.130866 5.797623E-04 171.65 387.9 298.16 164.05 N 177C4H10S METHYL-PROPYL-SULFIDE 90.183 159.495 -.1209171 5.799199E-04 160.19 398.71 298.16 175.89 N 178C4H10S 1-BUTANETHIOL 90.183 156.0201 -.104689 5.260285E-04 157.48 401.61 298.16 172.43 Y 179C4H10S 2-BUTANETHIOL 90.183 149.8146 -8.027663E-02 5.065096E-04 133.02 388.13 298.16 171.35 Y 180C4H10S 2-METHYL-1-PROPANETHIOL 90.183 150.0248 -7.505836E-02 4.963701E-04 128.3 391.64 298.16 172.25 Y 181C4H10S 2-METHYL-2-PROPANETHIOL 90.183 203.4529 -.3855271 9.752595E-04 274.27 367.36 298.16 175.41 Y 182C4H10S2 ETHYL-DISULFIDE 122.243 190.3945 -.1083263 4.987965E-04 171.7 456.67 298.16 204.15 Y 183C4H11N BUTYLAMINE 73.138 199.6609 -.2911618 9.229468E-04 224.1 380.12 298.16 195.74 N 184C4H11N SEC-BUTYLAMINE 73.138 170.6339 -.1944292 7.665727E-04 188 366.15 298.16 181.3 N 185C4H11N TERT-BUTYLAMINE 73.138 157.2374 -.2321014 8.338416E-04 201.16 346.91 298.16 162.39 N 186C4H11N DIETHYLAMINE 73.138 179.3763 -.3059073 9.627593E-04 223.4 359.16 298.16 174.3 N 187C5H5N PYRIDINE 79.101 147.6396 -.1412527 4.599924E-04 231.5 418.38 298.16 147.13 Y 188C5H6S 2-METHYLTHIOPHENE 98.162 141.5368 -.1284899 4.617104E-04 209.77 415.71 298.16 145.18 N 189C5H6S 3-METHYLTHIOPHENE 98.162 140.3606 -.1208457 4.487619E-04 204.18 418.6 298.16 145.18 Y 190C5H8 1,2-PENTADIENE 68.118 139.9823 -.1041399 6.164827E-04 135.9 348 298.16 163.43 N 191C5H8 1,3-PENTADIENE,CIS 68.118 149.8778 -.1903989 7.582335E-04 185.7 345.1 298.16 160.67 N 192C5H8 1,3-PENTADIENE,TRANS 68.118 152.0914 -.2001897 7.886883E-04 185.69 347.22 298.16 162.69 N 193C5H8 1,4-PENTADIENE 68.118 120.6581 -9.185249E-02 5.95815E-04 124.9 329.1 298.16 145.43 Y 194C5H8 2,3-PENTADIENE 68.118 145.5565 -.1204348 6.430872E-04 147.51 351.41 298.16 166.71 N 195C5H8 3-METHYL-1,2-BUTADIENE 68.118 141.5091 -.1419931 6.814748E-04 159.5 344 298.16 159.63 N 196C5H8 2-METHYL-1,3-BUTADIENE 68.118 127.0137 -.1076434 6.552619E-04 127.2 337.22 298.16 152.45 Y 197C5H8 1-PENTYNE 68.118 142.98 -.1500494 6.843552E-04 167.5 343.35 298.16 159.02 N 198C5H8 2-PENTYNE 68.118 156.8017 -.1405995 6.660871E-04 163.86 359.22 298.16 174.36 N 199C5H8 3-METHYL-1-BUTYNE 68.118 134.9212 -.1666452 6.879954E-04 183.46 329.5 298.16 146.27 N 200C5H8 CYCLOPENTENE 68.118 103.1864 -7.422881E-02 4.389923E-04 138.1 347.38 298.16 119.89 Y 201C5H8 SPIROPENTANE 68.118 112.0773 -.0989773 4.76956E-04 166.11 342.19 298.16 124.93 N 202C5H10 1-PENTENE 70.134 124.7965 -7.832593E-02 6.030118E-04 107.9 335.81 298.16 154 Y 203C5H10 2-PENTENE,CIS 70.134 127.2634 -9.196722E-02 6.095749E-04 121.7 339.25 289.1 151.14 Y 204C5H10 2-PENTENE,TRANS 70.134 129.2951 -.1103578 6.475857E-04 132.9 339.5 289.1 151.14 Y 205C5H10 2-METHYL-1-BUTENE 70.134 132.8531 -.1179648 6.788296E-04 135.6 334.28 298.16 157.3 Y 206C5H10 3-METHYL-1-BUTENE 70.134 136.8813 -1.743354E-02 2.734991E-04 104.7 323.25 293.25 154.8 Y 207C5H10 2-METHYL-2-BUTENE 70.134 130.2604 -.1218471 6.684379E-04 139.3 341.7 298.16 152.8 Y 208C5H10 CYCLOPENTANE 70.134 116.2369 -.1220498 5.196897E-04 179.3 352.41 298.16 126.24 Y 209C5H10BR22,3-DIBROMO-2-METHYLBUTANE 229.942 180.6011 -.1709931 4.393184E-04 288 474.01 298.16 168.28 N 210C5H10O VALERALDEHYDE 86.1330 172.299 -.1748323 6.951756E-04 182 406 298.16 183.09 N 211C5H10O 2-PENTANONE 86.1330 178.4802 -.2145749 7.700678E-04 196 405.41 298.16 184.24 Y 212C5H10S THIACYCLOHEXANE 102.194 184.4118 -.2447815 5.918321E-04 292.14 444.9 298.16 163.41 Y 213C5H10S CYCLOPENTANETHIOL 102.194 143.2029 -7.256928E-02 3.849946E-04 155.39 435.33 298.16 156.97 Y 214C5H11BR 1-BROMOPENTANE 151.045 143.4135 -.11807 4.778622E-04 185.26 432.74 298.16 151.65 N 215C5H11CL 1-CHLOROPENTANE 106.594 132.5936 -.1304759 5.39774E-04 174.16 410.15 298.16 142.56 N 216C5H11CL 1-CHLORO-3-METHYLBUTANE 106.594 127.9112 -.1124878 4.947611E-04 168.76 401.66 298.16 139.14 N 217C5H11CL 2-CHLORO-2-METHYLBUTANE 106.594 129.3675 -.1475997 5.385942E-04 199.66 388.76 298.16 133.94 N 218C5H12 PENTANE 72.15 143.6066 -.1447664 7.621668E-04 143.4 339.22 300 168.11 Y 219C5H12 2-METHYLBUTANE(ISOPENTANE) 72.15 132.3586 -9.542453E-02 6.79058E-04 113.3 331.15 275.8 157.29 Y 220C5H12 2,2-DIMETHYPROPANE 72.15 149.7929 -.2054903 5.795341E-04 256.6 312.64 282.64 138.12 N 221C5H12O METHYL-TERT-BUTYL-ETHER 88.149 162.0418 -.173412 7.826743E-04 164.56 358.3 298.16 180.03 N 222C5H12O PENTYL-ALCOHOL 88.149 190.6768 -.1892245 6.913594E-04 195 440.9 273.15 192.16 Y 223C5H12O TERT-PENTYL-ALCOHOL 88.149 239.6828 -.2534251 5.687265E-04 327 416.3 327 217.44 N 224C5H12S BUTYL-METHYL-SULFIDE 104.209 187.2402 -.1478043 6.305969E-04 175.33 426.58 298.16 200.71 Y 225C5H12S ETHYL-PROPYL-SULFIDE 104.209 180.3185 -.1210538 5.97093E-04 156.15 421.65 298.16 198.62 Y 226C5H12S 2-METHYL-2-BUTANETHIOL 104.209 165.3722 -.1200607 5.554607E-04 169.38 402.28 298.16 179.88 N 227C5H12S 1-PENTANETHIOL 104.209 193.9695 -.1637853 6.209504E-04 197.45 429.8 298.16 201.75 Y 228C6CL6 HEXACHLOROBENZENE 284.784 0 0 0 0 0 0 0 N 229C6F6 HEXAFLUOROBENZENE 186.056 0 0 0 0 0 0 0 N 230C6H4CL2 O-DICHLOROBENZENE 147.003 176.0924 -.1503658 4.356106E-04 256.1 479.1 298.16 170.33 N 231C6H4CL2 M-DICHLOROBENZENE 147.003 174.5062 -.1603918 4.704663E-04 248.46 476.16 298.16 169.14 N 232C6H4CL2 P-DICHLOROBENZENE 147.003 175.3994 -9.289244E-02 2.325261E-04 326.26 477.16 326.26 169.55 N 233C6H4F2 M-DIFLUOROBENZENE 114.094 146.2047 -.2276013 6.416696E-04 249.16 393.66 298.16 135.91 N 234C6H4F2 O-DIFLUOROBENZENE 114.094 143.058 -.2085841 6.168013E-04 239.16 394.66 298.16 136.32 N 235C6H4F2 P-DIFLUOROBENZENE 114.094 149.0895 -.2423588 6.528375E-04 260.16 392 298.16 135.24 N 236C6H5BR BROMOBENZENE 157.009 158.5244 -.144351 4.399811E-04 242.3 459.1 298.16 155.28 Y 237C6H5CL CHLOROBENZENE 112.558 150.4141 -.142546 4.642096E-04 227.6 435.06 298.16 150.04 Y 238C6H5F FLUOROBENZENE 96.1039 151.1213 -.2053858 6.310263E-04 234 388.05 298.16 146.65 Y 239C6H5I IODOBENZENE 204.01 160.6757 -.119998 3.731763E-04 241.8 491.57 298.16 158.72 Y 240C6H6 BENZENE 78.113 155.6259 -.2710512 6.750819E-04 278.7 383.31 300 135.14 Y 241C6H6O PHENOL 94.113 207.4793 -.1037491 2.740052E-04 314 484.89 314.05 201.5 Y 242C6H6S BENZENETHIOL 110.173 182.678 -.1604032 4.61938E-04 258.37 472.32 298.16 176.28 N 243C6H7N 2-PICOLINE 93.128 153.402 -.1134646 4.269934E-04 207 432.56 298.16 158.5 Y 244C6H7N 3-PICOLINE 93.128 165.9333 -.1738605 4.973554E-04 254.86 447.3 298.16 158.78 Y 245C6H7N ANILINE 93.128 206.272 -.2115065 5.642902E-04 267 487.2 298.16 193.52 Y 246C6H10 1-HEXYNE 82.145 166.3153 -.1117734 6.364936E-04 141.26 374.49 298.16 189.85 N 247C6H10 CYCLOHEXENE 82.145 133.8624 -.105987 4.871546E-04 169.7 386.14 298.16 146.22 Y 248C6H10 1-METHYLCYCLOPENTENE 82.145 130.3197 -8.915856E-02 4.882352E-04 145.96 378.95 298.16 147.51 N 249C6H10 3-METHYLCYCLOPENTENE 82.145 122.0813 -7.341001E-02 4.627283E-04 130.16 373.16 298.16 141.47 N 250C6H10 4-METHYLCYCLOPENTENE 82.145 124.4117 -5.868079E-02 4.482986E-04 112.31 378.31 298.16 146.84 N 251C6H10O CYCLOHEXANONE 98.144 0 0 0 0 0 0 0 N 252C6H12 1-HEXENE 84.161 157.713 -.1157768 6.787808E-04 133.3 367.91 298.16 183.47 Y 253C6H12 2-HEXENE,CIS 84.161 166.9178 -.1144746 6.86295E-04 132 372 298.16 193.85 N 254C6H12 2-HEXENE,TRANS 84.161 167.786 -.1272768 7.070269E-04 140 371 298.16 192.82 N 255C6H12 3-HEXENE,CIS 84.161 165.421 -.1179147 6.86947E-04 135.3 369.6 298.16 191.39 N 256C6H12 3-HEXENE,TRANS 84.161 172.2807 -.1639163 7.682904E-04 159.7 370.3 298.16 192.11 N 257C6H12 2-METHYL-1-PENTENE 84.161 161.6497 -.121605 6.93589E-04 137.44 365.27 298.16 186.99 N 258C6H12 3-METHYL-1-PENTENE 84.161 150.3967 -9.593389E-02 6.499066E-04 120.16 357.34 298.16 179.08 N 259C6H12 4-METHYL-1-PENTENE 84.161 149.9779 -.0951435 6.486453E-04 119.53 357.03 298.16 178.77 N 260C6H12 2-METHYL-2-PENTENE 84.161 166.9413 -.1222381 6.940512E-04 138.1 370.5 298.16 192.31 N 261C6H12 3-METHYL-2-PENTENE,CIS 84.161 152.1068 -.1117035 6.327196E-04 138.3 370.9 298.16 175.16 Y 262C6H12 3-METHYL-2-PENTENE,TRANS 84.161 151.5567 -.1055687 6.181926E-04 134.7 373.6 298.16 175.16 Y 263C6H12 4-METHYL-2-PENTENE,CIS 84.161 156.0824 -.1354003 7.408374E-04 139 359.6 298.16 181.31 N 264C6H12 4-METHYL-2-PENTENE,TRANS 84.161 156.3821 -.1234963 7.215988E-04 132 361.7 298.16 183.4 N 265C6H12 2-ETHYL-1-BUTENE 84.161 165.1132 -.1290856 7.076017E-04 141.63 367.84 298.16 189.59 N 266C6H12 2,3-DIMETHYL-1-BUTENE 84.161 150.8481 -9.161547E-02 6.465984E-04 115.9 358.8 298.16 180.52 N 267C6H12 3,3-DIMETHYL-1-BUTENE 84.161 147.298 -.1490029 7.188069E-04 158 344.4 298.16 166.59 N 268C6H12 2,3-DIMETHYL-2-BUTENE 84.161 191.5076 -.2381628 8.674224E-04 198.9 376.4 298.16 198.42 N 269C6H12 CYCLOHEXANE 84.161 178.9841 -.3215673 7.967684E-04 279.6 383.9 299.82 154.27 Y 270C6H12 METHYLCYCLOPENTANE 84.161 137.2329 -8.289026E-02 5.189872E-04 130.7 374.97 299.82 159.15 Y 271C6H12O CYCLOHEXANOL 100.16 0 0 0 0 0 0 0 N 272C6H12O HEXANAL 100.16 214.4491 -.2587524 8.33665E-04 217.16 431.43 298.16 212.94 N 273C6H12S THIACYCLOHEPTANE 116.22 202.7318 -.2193948 5.527027E-04 292.14 444.9 298.16 185.95 N 274C6H14 HEXANE 86.177 181.7722 -.2155013 8.755453E-04 177.8 371.93 300 196.4 Y 275C6H14 2-METHYLPENTANE 86.177 162.646 -.1087208 7.211981E-04 119.5 363.4 300 194.42 Y 276C6H14 3-METHYLPENTANE 86.177 169.6343 -.1577899 7.677257E-04 155 366.35 300 191.49 Y 277C6H14 2,2-DIMETHYLBUTANE 86.177 167.8527 -.2005228 8.503455E-04 173.3 352.87 300 184.25 Y 278C6H14 2,3-DIMETHYLBUTANE 86.177 160.7212 -.1394568 7.363581E-04 144.6 361.16 300 185.02 Y 279C6H14O PROPYL-ETHER 102.176 192.8795 -.1572054 7.836143E-04 151 393.2 298.16 216.39 N 280C6H14O ISOPROPYL-ETHER 102.176 183.4485 -.2497493 9.412081E-04 187.7 371.4 298.16 193.23 N 281C6H14O HEXYL-ALCOHOL 102.176 240.2844 -.2737821 8.335028E-04 229.2 460.25 290.01 232.45 Y 282C6H14S BUTYL-ETHYL-SULFIDE 118.236 219.6956 -.1671577 6.963093E-04 178.03 447.41 298.16 233.73 N 283C6H14S ISOPROPYL-SULFIDE 118.236 188.8548 -.1392077 6.221205E-04 170.45 423.19 298.16 204.05 N 284C6H14S METHYL-PENTYL-SULFIDE 118.236 200.4453 -.1581116 6.610722E-04 179.16 431.16 298.16 213.62 N 285C6H14S PROPYL-SULFIDE 118.236 209.7997 -.1477552 6.51952E-04 170.45 446 298.16 225.59 Y 286C6H14S 1-HEXANETHIOL 118.236 234.4285 -.1825648 7.02753E-04 192.66 455.84 298.16 244.48 N 287C6H14S2 PROPYL-DISULFIDE 150.296 240.4063 -.1448499 5.881463E-04 187.68 494.65 298.16 251.81 N 288C6H15N TRIETHYLAMINE 101.191 188.3567 -.1611631 7.623571E-04 158.4 392.35 298.16 208.88 N 289C7H5F3 A,A,A-TRIFLUOROTOLUENE 146.111 148.1865 -.206274 5.991513E-04 244.06 405.16 298.16 140.55 N 290C7H5N BENZONITRILE 103.123 0 0 0 0 0 0 0 N 291C7H6O2 BENZOIC-ACID 122.123 282.6829 -.1824802 3.513799E-04 395.6 553 394.95 265.01 Y 292C7H7F P-FLUOROTOLUENE 110.13 145.6576 -.1581253 5.284068E-04 216.36 419.76 298.16 146.43 N 293C7H8 TOLUENE 92.14 147.0419 -.1140537 4.896709E-04 178 413.73 300 157.93 Y 294C7H8 1,3,5-CYCLOHEPTATRIENE 92.14 183.1835 -.1615461 6.226704E-04 193.66 418.65 298.16 191.69 N 295C7H8O M-CRESOL 108.139 250.4301 -.2953914 7.136648E-04 285.4 505.4 298.16 225.04 Y 296C7H8O O-CRESOL 108.139 239.2767 -.1121534 3.082134E-04 304.1 494.08 304.19 233.15 Y 297C7H8O P-CRESOL 108.139 233.8168 -.1090476 2.941954E-04 307.9 504.98 307.05 227.52 Y 298C7H12 1-HEPTYNE 96.172 210.2149 -.2054832 7.91113E-04 192.26 402.86 298.16 220.54 N 299C7H14 1-HEPTENE 98.1880 190.3995 -.1469776 7.279127E-04 154.3 396.79 298.16 212.09 Y 300C7H14 CYCLOHEPTANE 98.1880 227.5194 -.306924 8.228036E-04 265 421.94 298.16 209.57 N 301C7H14 ETHYLCYCLOPENTANE 98.1880 163.7651 -9.176069E-02 5.49067E-04 134.7 406.6 298.16 186.07 Y 302C7H14 1,1-DIMETHYLCYCLOPENTANE 98.1880 180.7567 -.2047238 7.354855E-04 203.4 391 298.16 186.07 Y 303C7H14 C-1,2-DIMETHYLCYCLOPENTANE 98.1880 188.3135 -.2242555 7.388641E-04 219.3 402.68 294.2 187.34 Y 304C7H14 T-1,2-DIMETHYLCYCLOPENTANE 98.1880 169.3445 -.1265585 6.274022E-04 155.6 395.01 294.2 187.34 Y 305C7H14 C-1,3-DIMETHYLCYCLOPENTANE 98.1880 166.2584 -.1061336 6.031584E-04 139.46 393.92 298.16 188.89 Y 306C7H14 T-1,3-DIMETHYLCYCLOPENTANE 98.1880 166.397 -.1048678 5.98368E-04 139.19 394.87 298.16 189 Y 307C7H14 METHYLCYCLOHEXANE 98.1880 163.1495 -.1054818 5.647511E-04 146.6 404.08 294.2 182.04 Y 308C7H14O HEPTANAL 114.187 246.725 -.2574344 7.970154E-04 229.86 455 298.16 242.4 N 309C7H16 HEPTANE 100.203 211.9577 -.2299336 9.030516E-04 182.6 401.56 300 225.46 Y 310C7H16 2-METHYLHEXANE 100.203 198.0114 -.1757945 8.376168E-04 154.9 393.19 292.4 219.24 Y 311C7H16 3-METHYLHEXANE 100.203 181.713 -8.476996E-02 6.959583E-04 100 394.98 298.16 218.34 N 312C7H16 3-ETHYLPENTANE 100.203 197.1591 -.1594904 7.772212E-04 154.6 396.57 298.16 219.6 Y 313C7H16 2,2-DIMETHYLPENTANE 100.203 195.8654 -.1674377 8.409648E-04 149.4 382.35 298.16 221.2 Y 314C7H16 2,3-DIMETHYLPENTANE 100.203 194.0977 -.1614537 8.044045E-04 149.4 393.05 298.16 218.28 Y 315C7H16 2,4-DIMETHYLPENTANE 100.203 200.1237 -.180992 8.723037E-04 154 383.77 298.16 224.3 Y 316C7H16 3,3-DIMETHYLPENTANE 100.203 188.2161 -.1268881 7.180767E-04 138.7 389.22 298.16 214.77 Y 317C7H16 2,2,3-TRIMETHYLBUTANE 100.203 232.6126 -.4015949 1.123934E-03 248.3 384.03 298.16 213.6 Y 318C7H16O ISOPROPYL-TERT-BUTYL-ETHER 116.202 218.4087 -.2090551 8.566921E-04 177.8 408.66 298.16 233.69 N 319C7H16O HEPTYL-ALCOHOL 116.202 240.5662 -.2685824 7.803813E-04 239.2 479.07 298.16 231.24 N 320C7H16S BUTYL-PROPYL-SULFIDE 132.263 263.2021 -.2153794 7.57602E-04 206.66 474.16 298.16 268.6 N 321C7H16S ETHYL-PENTYL-SULFIDE 132.263 264.0038 -.2323357 8.048611E-04 206.66 474.16 298.16 268.6 N 322C7H16S HEXYL-METHYL-SULFIDE 132.263 264.0038 -.2323357 8.048611E-04 206.66 474.16 298.16 268.6 N 323C7H16S 1-HEPTANETHIOL 132.263 281.2272 -.2721818 8.408949E-04 229.91 480.11 298.16 276.66 N 324C8H6 ETHYNYLBENZENE 102.135 183.3717 -.1680618 5.16447E-04 242.53 448.36 298.16 179.93 N 325C8H8 STYRENE 104.151 184.566 -.2149322 6.263032E-04 242.5 448.15 298.16 177.06 Y 326C8H8 1,3,5,7-CYCLOOCTATETRAENE 104.151 236.5127 -.2709235 7.350255E-04 266.16 443.16 298.16 221.39 N 327C8H10 ETHYLBENZENE 106.167 172.1628 -.1211824 5.187492E-04 178.2 439.17 298.5 183.67 Y 328C8H10 M-XYLENE 106.167 185.1319 -.1938653 6.177043E-04 225.3 442.22 300 183.78 Y 329C8H10 O-XYLENE 106.167 196.5503 -.2217923 6.388514E-04 248 447.46 300 188.34 Y 330C8H10 P-XYLENE 106.167 210.6075 -.3153702 7.631189E-04 286.4 441.44 300 184.41 Y 331C8H14 1-OCTYNE 110.198 241.3442 -.2220524 8.376998E-04 193.86 429.36 298.16 251.44 N 332C8H16 1-OCTENE 112.214 222.6086 -.1738614 7.625213E-04 171.4 425.17 298.16 240.14 Y 333C8H16 CYCLOOCTANE 112.214 277.9401 -.3520509 8.677389E-04 287.6 454.3 298.16 249.5 N 334C8H16 PROPYLCYCLOPENTANE 112.214 204.1291 -.1400743 6.750304E-04 155.8 434.1 298.16 224.2 N 335C8H16 ETHYLCYCLOHEXANE 112.214 206.7234 -.1293582 6.225421E-04 161.8 434.94 298.16 225.22 N 336C8H16 1,1-DIMETHYLCYCLOHEXANE 112.214 218.3105 -.2671558 7.961741E-04 239.7 422.7 298.16 210.47 N 337C8H16 C-1,2-DIMETHYLCYCLOHEXANE 112.214 223.4466 -.2305117 7.499898E-04 223.1 432.94 298.16 222.78 N 338C8H16 T-1,2-DIMETHYLCYCLOHEXANE 112.214 203.4328 -.1650232 6.688424E-04 185 426.71 298.16 215.25 N 339C8H16 C-1,3-DIMETHYLCYCLOHEXANE 112.214 203.2965 -.1860226 6.954386E-04 197.6 423.25 298.16 211.12 N 340C8H16 T-1,3-DIMETHYLCYCLOHEXANE 112.214 204.2638 -.1757791 7.061389E-04 183 427.6 298.16 216.32 N 341C8H16 C-1,4-DIMETHYLCYCLOHEXANE 112.214 204.5866 -.1652592 6.679778E-04 185.7 427.56 298.16 216.27 N 342C8H16 T-1,4-DIMETHYLCYCLOHEXANE 112.214 216.9083 -.2640509 7.98136E-04 236.2 422.5 298.16 210.23 N 343C8H16O OCTANAL 128.213 285.2043 -.3570292 9.938819E-04 245.93 474.87 298.16 268.56 N 344C8H18 OCTANE 114.23 256.3503 -.3221647 1.035952E-03 216.4 428.77 300 254.73 Y 345C8H18 2-METHYLHEPTANE 114.23 230.5234 -.196661 8.77554E-04 164 420.8 298.15 251.53 Y 346C8H18 3-METHYLHEPTANE 114.23 224.9884 -.1785576 8.574534E-04 152.7 422.07 298.15 249.59 Y 347C8H18 4-METHYLHEPTANE 114.23 226.1179 -.1730653 8.439018E-04 152.2 420.92 298.15 251.08 Y 348C8H18 3-ETHYLHEXANE 114.23 224.2009 -.1751148 8.464992E-04 152.16 421.7 298.16 248.86 N 349C8H18 2,2-DIMETHYLHEXANE 114.23 211.1269 -.1651244 8.116361E-04 152 410.01 298.16 235.24 N 350C8H18 2,3-DIMETHYLHEXANE 114.23 227.6602 -.201476 8.570951E-04 171.96 418.78 298.16 245.42 N 351C8H18 2,4-DIMETHYLHEXANE 114.23 220.9961 -.2062924 8.719999E-04 171.96 412.82 298.16 238.48 N 352C8H18 2,5-DIMETHYLHEXANE 114.23 234.8732 -.2436905 9.601993E-04 181.9 411.76 298.15 249.14 Y 353C8H18 3,3-DIMETHYLHEXANE 114.23 220.1135 -.1648313 8.336084E-04 147 415.12 298.15 246.51 Y 354C8H18 3,4-DIMETHYLHEXANE 114.23 223.0233 -.1515061 7.837658E-04 147.06 421.85 298.16 249.04 N 355C8H18 3-ETHYL-2-METHYLPENTANE 114.23 223.0395 -.1807471 8.402852E-04 158.2 418.81 298.16 245.46 N 356C8H18 3-ETHYL-3-METHYLPENTANE 114.23 234.234 -.2094131 8.435125E-04 182.3 421.42 298.16 248.53 N 357C8H18 2,2,3-TRIMETHYLPENTANE 114.23 217.7465 -.1827934 8.349291E-04 160.9 413.25 298.16 238.97 N 358C8H18 2,2,4-TRIMETHYLPENTANE 114.23 214.6412 -.1937389 8.604506E-04 165.8 402.38 295.2 233.71 Y 359C8H18 2,3,3-TRIMETHYLPENTANE 114.23 227.7083 -.1862693 8.064226E-04 172.5 417.89 298.15 245.48 Y 360C8H18 2,3,4-TRIMETHYLPENTANE 114.23 226.4869 -.1819466 8.26907E-04 163.9 416.58 298.15 247.31 Y 361C8H18 2,2,3,3-TETRAMETHYLBUTANE 114.23 236.6923 -.1855612 8.207494E-04 172.47 409.6 379.6 282.85 Y 362C8H18O BUTYL-ETHER 130.229 257.0284 -.2262687 9.312082E-04 175 442.85 298.16 274.58 N 363C8H18O SEC-BUTYL-ETHER 130.229 233.6821 -.2072653 8.801132E-04 171.65 424.2 298.16 251.83 N 364C8H18O TERT-BUTYL-ETHER 130.229 232.3202 -.282122 9.671289E-04 206.49 410.37 298.16 235.65 N 365C8H18O OCTYL-ALCOHOL 130.229 277.0928 -.3260622 8.680985E-04 257.7 498.26 298.16 257.91 N 366C8H18S BUTYL-SULFIDE 146.29 280.893 -.2412934 8.227624E-04 209.86 485.15 298.16 284.53 Y 367C8H18S ETHYL-HEXYL-SULFIDE 146.29 298.6565 -.2579708 8.694213E-04 209.86 498.16 298.16 301.77 N 368C8H18S HEPTYL-METHYL-SULFIDE 146.29 298.6565 -.2579708 8.694213E-04 209.86 498.16 298.16 301.77 N 369C8H18S PENTYL-PROPYL-SULFIDE 146.29 298.6565 -.2579708 8.694213E-04 209.86 498.16 298.16 301.77 N 370C8H18S 1-OCTANETHIOL 146.29 309.9801 -.2759755 8.735966E-04 223.93 502.3 298.16 307.67 N 371C8H18S2 BUTY-DISULFIDE 178.35 302.417 -.197227 7.158595E-04 202.16 534.36 298.16 310.15 N 372C9H10 ALPHA-METHYLSTYRENE 118.178 215.6436 -.229765 6.533108E-04 249.93 468.5 298.16 206.04 N 373C9H10 PROPENYLBENZENE,CIS 118.178 208.9036 -.1680954 5.826065E-04 211.47 473.16 298.16 212.26 N 374C9H10 PROPENYLBENZENE,TRANS 118.178 219.3515 -.2176693 6.389669E-04 243.82 473.16 298.16 212.26 N 375C9H10 M-METHYLSTYRENE 118.178 199.8579 -.1408432 5.594309E-04 186.81 471.16 298.16 209.58 N 376C9H10 O-METHYLSTYRENE 118.178 208.6835 -.1669773 5.944599E-04 204.58 474.16 298.16 213.6 N 377C9H10 P-METHYLSTYRENE 118.178 217.1665 -.2193124 6.521982E-04 239 472.16 298.16 210.92 N 378C9H12 PROPYLBENZENE 120.193 200.0546 -.1286534 5.635789E-04 173.7 460.17 293.15 212.74 Y 379C9H12 CUMENE 120.193 196.44 -.1353978 5.749671E-04 177.1 456.31 299.82 209.38 Y 380C9H12 M-ETHYLTOLUENE 120.193 200.3633 -.1391352 5.835864E-04 177.6 464.5 298.16 212.75 N 381C9H12 O-ETHYLTOLUENE 120.193 208.9943 -.153366 5.911177E-04 192.3 468.3 298.16 217.77 N 382C9H12 P-ETHYLTOLUENE 120.193 210.7694 -.1862215 6.380439E-04 210.8 465.2 298.16 213.68 N 383C9H12 1,2,3-TRIMETHYLBENZENE 120.193 225.0839 -.2289541 6.563808E-04 247.7 479.27 298.16 216.1 Y 384C9H12 1,2,4-TRIMETHYLBENZENE 120.193 215.054 -.2088202 6.542683E-04 227 472.26 297.3 212.26 Y 385C9H12 MESITYLENE 120.193 203.9968 -.2016484 6.289557E-04 228.4 467.89 299.82 201.44 Y 386C9H16 1-NONYNE 124.225 285.1196 -.3055551 9.679602E-04 223.16 453.96 298.16 282.06 N 387C9H18 1-NONENE 126.241 271.8159 -.234041 8.925566E-04 191.8 450 298.16 283.59 N 388C9H18 BUTYLCYCLOPENTANE 126.241 237.6627 -.1596207 7.206283E-04 165.18 459.76 298.16 256.55 N 389C9H18 PROPYLCYCLOHEXANE 126.241 242.0041 -.1704744 7.106741E-04 178.7 459.9 298.16 256.74 N 390C9H18 C-C-135TRIMETHYLCYCLOHEXANE 126.241 237.2095 -.2754449 8.634174E-04 223.46 441.66 298.16 233.52 N 391C9H18 C-T-135TRIMETHYLCYCLOHEXANE 126.241 226.1846 -.2149786 8.0846E-04 188.76 443.7 298.16 236.06 N 392C9H18O NONANAL 142.24 320.2875 -.4109582 1.049016E-03 267.3 491.6 298.16 291.53 N 393C9H20 NONANE 128.257 288.7963 -.3448041 1.08362E-03 219.7 453.81 300 285.12 Y 394C9H20 2-METHYLOCTANE 128.257 269.0613 -.2720407 9.948802E-04 192.8 446.19 298.16 278.77 N 395C9H20 3-METHYLOCTANE 128.257 258.9386 -.208571 9.121188E-04 165.56 447.37 298.16 280.25 N 396C9H20 4-METHYLOCTANE 128.257 254.6125 -.1955006 8.92906E-04 159.96 445.58 298.16 278 N 397C9H20 3-ETHYLHEPTANE 128.257 255.3025 -.1952679 8.92398E-04 159.96 446.16 298.16 278.73 N 398C9H20 4-ETHYLHEPTANE 128.257 253.1354 -.1947024 8.901626E-04 159.96 444.36 298.16 276.47 N 399C9H20 2,2-DIMETHYLHEPTANE 128.257 243.0672 -.1910359 8.752146E-04 160 435.85 298.16 265.92 N 400C9H20 2,3-DIMETHYLHEPTANE 128.257 252.5374 -.1935408 8.82529E-04 160.16 443.66 298.16 275.59 N 401C9H20 2,4-DIMETHYLHEPTANE 128.257 243.3921 -.1971572 8.94222E-04 160.16 436.05 298.16 266.16 N 402C9H20 2,5-DIMETHYLHEPTANE 128.257 247.0605 -.194249 8.854321E-04 160.16 439.16 298.16 269.99 N 403C9H20 2,6-DIMETHYLHEPTANE 128.257 249.8704 -.2159426 9.155944E-04 170.26 438.37 298.16 269.02 N 404C9H20 3,3-DIMETHYLHEPTANE 128.257 252.1624 -.2118718 8.997261E-04 170.26 440.17 298.16 271.25 N 405C9H20 3,4-DIMETHYLHEPTANE 128.257 256.4724 -.2126346 9.030615E-04 170.26 443.76 298.16 275.72 N 406C9H20 3,5-DIMETHYLHEPTANE 128.257 250.9171 -.214966 9.106016E-04 170.26 439.16 298.16 269.99 N 407C9H20 4,4-DIMETHYLHEPTANE 128.257 250.0447 -.2151606 9.097807E-04 170.26 438.36 298.16 269.01 N 408C9H20 3-ETHYL-2-METHYLHEXANE 128.257 249.5951 -.1955378 8.876029E-04 160.16 441.16 298.16 272.47 N 409C9H20 4-ETHYL-2-METHYLHEXANE 128.257 244.5185 -.1962213 8.904273E-04 160.16 436.96 298.16 267.28 N 410C9H20 3-ETHYL-3-METHYLHEXANE 128.257 252.843 -.1886253 8.632913E-04 160.16 443.76 298.16 275.72 N 411C9H20 3-ETHYL-4-METHYLHEXANE 128.257 252.536 -.1929756 8.787201E-04 160.16 443.56 298.16 275.47 N 412C9H20 2,2,3-TRIMETHYLHEXANE 128.257 242.06 -.1717622 8.334691E-04 153.16 436.75 298.16 267.02 N 413C9H20 2,2,4-TRIMETHYLHEXANE 128.257 233.575 -.1776514 8.546944E-04 153 429.69 298.16 258.42 N 414C9H20 2,2,5-TRIMETHYLHEXANE 128.257 235.7673 -.2065302 8.935937E-04 167.4 427.24 298.16 255.47 N 415C9H20 2,3,3-TRIMETHYLHEXANE 128.257 248.0557 -.1761853 8.359057E-04 156.36 440.84 298.16 272.08 N 416C9H20 2,3,4-TRIMETHYLHEXANE 128.257 249.6067 -.179972 8.498236E-04 156.36 442.2 298.16 273.77 N 417C9H20 2,3,5-TRIMETHYLHEXANE 128.257 236.6695 -.1620081 8.324828E-04 145.36 434.5 298.16 264.26 N 418C9H20 2,4,4-TRIMETHYLHEXANE 128.257 240.7875 -.1904948 8.70408E-04 159.78 433.81 298.16 263.42 N 419C9H20 3,3,4-TRIMETHYLHEXANE 128.257 256.9002 -.2028668 8.632651E-04 171.96 443.62 298.16 275.54 N 420C9H20 3,3-DIETHYLPENTANE 128.257 292.8768 -.3735514 1.075901E-03 240.1 449.3 298.16 278.78 Y 421C9H20 3-ETHYL-2,2-DIMETHYLPENTANE 128.257 249.6552 -.2118368 8.843312E-04 173.67 436.99 298.16 267.32 N 422C9H20 3-ETHYL-2,3-DIMETHYLPENTANE 128.257 262.6996 -.2070035 8.706233E-04 173.67 447.86 298.16 280.87 N 423C9H20 3-ETHYL-2,4-DIMETHYLPENTANE 128.257 244.9226 -.1707702 8.399755E-04 150.8 439.85 298.16 270.85 N 424C9H20 2,2,3,3-TETRAMETHYLPENTANE 128.257 300.3904 -.4440027 1.156173E-03 263 443.44 298.16 271.54 Y 425C9H20 2,2,3,4-TETRAMETHYLPENTANE 128.257 241.1466 -.1681509 8.233891E-04 152 436.18 298.16 266.32 N 426C9H20 2,2,4,4-TETRAMETHYLPENTANE 128.257 262.4764 -.299578 1.026001E-03 206 425.44 298.16 266.31 Y 427C9H20 2,3,3,4-TETRAMETHYLPENTANE 128.257 258.1103 -.206539 8.761287E-04 171.1 444.72 298.16 276.92 N 428C9H20O NONYL-ALCOHOL 144.256 309.9229 -.3607225 9.196024E-04 268 516.61 298.16 284.47 N 429C9H20S BUTYL-PENTYL-SULFIDE 160.317 343.332 -.3279589 9.811974E-04 231.16 521.1601 298.16 335.22 N 430C9H20S ETHYL-HEPTYL-SULFIDE 160.317 343.332 -.3279589 9.811974E-04 231.16 521.1601 298.16 335.22 N 431C9H20S HEXYL-PROPYL-SULFIDE 160.317 343.332 -.3279589 9.811974E-04 231.16 521.1601 298.16 335.22 N 432C9H20S METHYL-OCTYL-SULFIDE 160.317 343.332 -.3279589 9.811974E-04 231.16 521.1601 298.16 335.22 N 433C9H20S 1-NONANETHIOL 160.317 356.912 -.3656867 9.982642E-04 253.04 522.96 298.16 337.9 N 434C10H8 NAPHTHALENE 128.173 226.6239 -.1047251 2.441231E-04 353.45 521.13 353.13 219.69 Y 435C10H8 AZULENE 128.173 233.9236 -.1026435 4.580917E-04 173.66 545.16 298.16 246.85 N 436C10H14 BUTYLBENZENE 134.22 229.1261 -.154935 6.198329E-04 185.2 486.43 298.2 240.39 Y 437C10H14 M-DIETHYLBENZENE 134.22 229.3051 -.1610434 6.268565E-04 189.24 484.25 298.16 239.33 N 438C10H14 O-DIETHYLBENZENE 134.22 251.3948 -.2485113 7.264979E-04 241.92 487.02 298.16 243.15 N 439C10H14 P-DIETHYLBENZENE 134.22 248.6076 -.2498704 7.564646E-04 231 486.94 298.16 243.04 N 440C10H14 1,2,3,4-TETRAMETHYLBENZENE 134.22 257.5955 -.2945799 7.554231E-04 266.91 508.25 291.7 235.82 Y 441C10H14 1,2,3,5-TETRAMETHYLBENZENE 134.22 253.9011 -.2747126 7.596327E-04 249 501.25 297.1 240.39 Y 442C10H14 1,2,4,5-TETRAMETHYLBENZENE 134.22 332.1006 -.2413555 5.224169E-04 352 500 352 311.38 N 443C10H18 1-DECYNE 138.252 319.8947 -.3415262 1.038911E-03 229.16 477.16 298.16 312.65 N 444C10H18 DECAHYDRONAPHTHALENE,CIS 138.252 234.5421 -.1944088 6.09371E-04 230 498.61 298.16 232.24 Y 445C10H18 DECAHYDRONAPHTHALENE,TRANS 138.252 239.2636 -.2226147 6.549998E-04 242.8 490.42 298.16 232.24 Y 446C10H20 1-DECENE 140.268 293.7518 -.2596688 9.063605E-04 206.9 473.7 298.16 299.3 Y 447C10H20 1-CYCLOPENTYLPENTANE 140.268 277.584 -.2194991 8.281764E-04 190.16 483.76 298.16 288.66 N 448C10H20 BUTYLCYCLOHEXANE 140.268 280.3501 -.2100283 7.730346E-04 198.4 484.1 298.16 289.12 N 449C10H20O DECANAL 156.267 353.0502 -.4509306 1.137116E-03 268.16 511.66 298.16 320.2 N 450C10H22 DECANE 142.283 335.151 -.4409138 1.225619E-03 243.5 476.86 300 315.16 Y 451C10H22 2-METHYLNONANE 142.283 306.3252 -.3074052 1.078068E-03 198.51 470.16 298.16 313.5 Y 452C10H22 3-METHYLNONANE 142.283 297.2858 -.27568 1.026186E-03 188.36 470.96 298.16 309.4 Y 453C10H22 4-METHYLNONANE 142.283 298.3626 -.2531424 1.026987E-03 174.46 468.86 298.16 317.4 Y 454C10H22 5-METHYLNONANE 142.283 300.7595 -.279808 1.056541E-03 185.46 468.26 298.16 314.4 Y 455C10H22 3-ETHYLOCTANE 142.283 295.8119 -.2721589 1.027714E-03 185.46 469.66 298.16 309.16 N 456C10H22 4-ETHYLOCTANE 142.283 292.4179 -.2793313 1.047529E-03 185.46 466.8 298.16 305.37 N 457C10H22 2,2-DIMETHYLOCTANE 142.283 301.0542 -.3579176 1.122088E-03 219.16 460.06 298.16 296.52 N 458C10H22 2,3-DIMETHYLOCTANE 142.283 310.889 -.3603168 1.127107E-03 219.16 467.47 298.16 306.25 N 459C10H22 2,4-DIMETHYLOCTANE 142.283 300.5128 -.3683964 1.148324E-03 219.16 459.06 298.16 295.22 N 460C10H22 2,5-DIMETHYLOCTANE 142.283 303.6434 -.3652539 1.140322E-03 219.16 461.66 298.16 298.61 N 461C10H22 2,6-DIMETHYLOCTANE 142.283 307.5697 -.3649795 1.142274E-03 219.16 463.54 295 301.78 Y 462C10H22 2,7-DIMETHYLOCTANE 142.283 305.1671 -.3625466 1.134345E-03 219.16 463.03 298.16 300.4 N 463C10H22 3,3-DIMETHYLOCTANE 142.283 306.6369 -.356224 1.115757E-03 219.16 464.36 298.16 302.15 N 464C10H22 3,4-DIMETHYLOCTANE 142.283 309.6713 -.3590478 1.123142E-03 219.16 466.56 298.16 305.05 N 465C10H22 3,5-DIMETHYLOCTANE 142.283 304.9605 -.3666689 1.143077E-03 219.16 462.56 298.16 299.79 N 466C10H22 3,6-DIMETHYLOCTANE 142.283 306.4333 -.3620381 1.131569E-03 219.16 463.96 298.16 301.62 N 467C10H22 4,4-DIMETHYLOCTANE 142.283 302.371 -.3636534 1.134395E-03 219.16 460.66 298.16 297.3 N 468C10H22 4,5-DIMETHYLOCTANE 142.283 308.3087 -.3633578 1.134007E-03 219.16 465.29 298.16 303.37 N 469C10H22 4-PROPYLHEPTANE 142.283 303.3071 -.3785676 1.173454E-03 219.16 460.66 298.16 297.3 N 470C10H22 4-ISOPROPYLHEPTANE 142.283 304.7092 -.3711689 1.153186E-03 219.16 462.06 298.16 299.13 N 471C10H22 3-ETHYL-2-METHYLHEPTANE 142.283 307.322 -.3659939 1.140272E-03 219.16 464.36 298.16 302.15 N 472C10H22 4-ETHYL-2-METHYLHEPTANE 142.283 301.4256 -.3744853 1.16224E-03 219.16 459.36 298.16 295.61 N 473C10H22 5-ETHYL-2-METHYLHEPTANE 142.283 305.343 -.3665853 1.142812E-03 219.16 462.86 298.16 300.18 N 474C10H22 3-ETHYL-3-METHYLHEPTANE 142.283 310.1774 -.356829 1.115614E-03 219.16 466.96 298.16 305.58 N 475C10H22 4-ETHYL-3-METHYLHEPTANE 142.283 308.6578 -.3657648 1.138833E-03 219.16 465.36 298.16 303.46 N 476C10H22 3-ETHYL-5-METHYLHEPTANE 142.283 303.5944 -.3679133 1.144978E-03 219.16 461.36 298.16 298.22 N 477C10H22 3-ETHYL-4-METHYLHEPTANE 142.283 309.6619 -.3651882 1.137403E-03 219.16 466.16 298.16 304.52 N 478C10H22 4-ETHYL-4-METHYLHEPTANE 142.283 306.5291 -.3603791 1.124424E-03 219.16 463.96 298.16 301.62 N 479C10H22 2,2,3-TRIMETHYLHEPTANE 142.283 301.5056 -.3480373 1.093842E-03 219.16 460.76 298.16 297.43 N 480C10H22 2,2,4-TRIMETHYLHEPTANE 142.283 290.7452 -.3641929 1.135527E-03 219.16 451.46 298.16 285.44 N 481C10H22 2,2,5-TRIMETHYLHEPTANE 142.283 293.4971 -.3588743 1.122507E-03 219.16 453.96 298.16 288.64 N 482C10H22 2,2,6-TRIMETHYLHEPTANE 142.283 291.0211 -.357971 1.12108E-03 219.16 452.09 298.16 286.25 N 483C10H22 2,3,3-TRIMETHYLHEPTANE 142.283 304.6816 -.3448479 1.085206E-03 219.16 463.36 298.16 300.83 N 484C10H22 2,3,4-TRIMETHYLHEPTANE 142.283 304.922 -.3545894 1.110446E-03 219.16 463.06 298.16 300.44 N 485C10H22 2,3,5-TRIMETHYLHEPTANE 142.283 306.2449 -.3594814 1.123443E-03 219.16 463.86 298.16 301.49 N 486C10H22 2,3,6-TRIMETHYLHEPTANE 142.283 300.0375 -.3582251 1.121223E-03 219.16 459.16 298.16 295.35 N 487C10H22 2,4,4-TRIMETHYLHEPTANE 142.283 293.9357 -.3606843 1.126221E-03 219.16 454.16 298.16 288.9 N 488C10H22 2,4,5-TRIMETHYLHEPTANE 142.283 300.8448 -.3597773 1.124274E-03 219.16 459.66 298.16 296 N 489C10H22 2,4,6-TRIMETHYLHEPTANE 142.283 289.8131 -.3648376 1.138549E-03 219.16 450.76 298.16 284.55 N 490C10H22 2,5,5-TRIMETHYLHEPTANE 142.283 295.8925 -.3559922 1.114374E-03 219.16 455.96 298.16 291.21 N 491C10H22 3,3,4-TRIMETHYLHEPTANE 142.283 306.8656 -.3438495 1.08205E-03 219.16 465.06 298.16 303.07 N 492C10H22 3,3,5-TRIMETHYLHEPTANE 142.283 298.5226 -.3407197 1.075822E-03 219.16 458.85 298.16 294.95 N 493C10H22 3,4,4-TRIMETHYLHEPTANE 142.283 305.8495 -.3442684 1.083213E-03 219.16 464.26 298.16 302.02 N 494C10H22 2,3,5-TRIMETHYLHEPTANE 142.283 308.8222 -.3633191 1.133534E-03 219.16 465.66 298.16 303.86 N 495C10H22 3-ISOPROPYL-2-METHYLHEXANE 142.283 314.5248 -.3643547 1.134183E-03 219.16 469.86 298.16 309.43 N 496C10H22 3,3-DIETHYLHEXANE 142.283 313.2017 -.3519975 1.102121E-03 219.16 469.46 298.16 308.89 N 497C10H22 3,4-DIETHYLHEXANE 142.283 310.9031 -.3651309 1.136245E-03 219.16 467.06 298.16 305.71 N 498C10H22 3-ETHYL-2,2-DIMETHYLHEXANE 142.283 300.0603 -.3541352 1.108383E-03 219.16 459.26 298.16 295.48 N 499C10H22 4-ETHYL-2,2-DIMETHYLHEXANE 142.283 288.9444 -.3612428 1.127621E-03 219.16 450.16 298.16 283.79 N 500C10H22 3-ETHYL-2,3-DIMETHYLHEXANE 142.283 309.0319 -.3410104 1.074496E-03 219.16 466.86 298.16 305.44 N 501C10H22 4-ETHYL-2,3-DIMETHYLHEXANE 142.283 306.2246 -.3539718 1.108097E-03 219.16 464.06 298.16 301.75 N 502C10H22 3-ETHYL-2,4-DIMETHYLHEXANE 142.283 305.2084 -.354397 1.109306E-03 219.16 463.26 298.16 300.7 N 503C10H22 4-ETHYL-2,4-DIMETHYLHEXANE 142.283 305.8292 -.3441591 1.083066E-03 219.16 464.26 298.16 302.02 N 504C10H22 3-ETHYL-2,5-DIMETHYLHEXANE 142.283 298.0681 -.363339 1.132776E-03 219.16 457.26 298.16 292.89 N 505C10H22 4-ETHYL-3,3-DIMETHYLHEXANE 142.283 308.1773 -.3432984 1.079974E-03 219.16 466.06 298.16 304.39 N 506C10H22 3-ETHYL-3,4-DIMETHYLHEXANE 142.283 307.296 -.3456054 1.085697E-03 219.16 465.26 298.16 303.33 N 507C10H22 2,2,3,3-TETRAMETHYLHEXANE 142.283 304.361 -.3371327 1.064823E-03 219.16 463.48 298.16 300.99 N 508C10H22 2,2,3,4-TETRAMETHYLHEXANE 142.283 302.6611 -.3406142 1.073327E-03 219.16 461.96 298.16 299 N 509C10H22 2,2,3,5-TETRAMETHYLHEXANE 142.283 289.7181 -.3462153 1.088766E-03 219.16 451.56 298.16 285.57 N 510C10H22 2,2,4,4-TETRAMETHYLHEXANE 142.283 297.2835 -.3558926 1.112181E-03 219.16 456.96 298.16 292.5 N 511C10H22 2,2,4,5-TETRAMETHYLHEXANE 142.283 289.5936 -.354007 1.10868E-03 219.16 451.04 298.16 284.91 N 512C10H22 2,2,5,5-TETRAMETHYLHEXANE 142.283 303.057 -.4815098 1.252944E-03 260.56 440.63 298.16 271.82 N 513C10H22 2,3,3,4-TETRAMETHYLHEXANE 142.283 335.5604 -.4551864 1.190491E-03 260.56 467.75 298.16 306.62 N 514C10H22 2,3,3,5-TETRAMETHYLHEXANE 142.283 322.8242 -.47916 1.244773E-03 260.56 456.26 298.16 291.6 N 515C10H22 2,3,4,4-TETRAMETHYLHEXANE 142.283 332.5585 -.465103 1.212854E-03 260.56 464.76 298.16 302.67 N 516C10H22 2,3,4,5-TETRAMETHYLHEXANE 142.283 326.9011 -.4798586 1.246254E-03 260.56 459.36 298.16 295.61 N 517C10H22 3,3,4,4-TETRAMETHYLHEXANE 142.283 341.01 -.4371188 .0011503 260.56 473.16 298.16 313.84 N 518C10H22 24DIMETHYL3ISOPROPYLPENTANE 142.283 286.5048 -.2759455 1.007672E-03 191.46 460.2 298.16 296.71 N 519C10H22 33-DIETHYL-2-METHYLPENTANE 142.283 302.4176 -.2625154 9.684979E-04 191.46 472.86 298.16 313.43 N 520C10H22 3ETHYL-223TRIMETHYLPENTANE 142.283 301.7797 -.2517497 9.371797E-04 191.46 472.66 298.16 313.17 N 521C10H22 3ETHYL-224TRIMETHYLPENTANE 142.283 284.1101 -.270516 9.914602E-04 191.46 458.46 298.16 294.44 N 522C10H22 3ETHYL-234TRIMETHYLPENTANE 142.283 301.8388 -.2561761 9.503746E-04 191.46 472.6 298.16 313.09 N 523C10H22 22334-PENTAMETHYLPENTANE 142.283 319.5981 -.3553438 1.045936E-03 236.71 469.21 298.16 308.56 N 524C10H22 22344-PENTAMETHYLPENTANE 142.283 311.5505 -.3750898 1.101135E-03 234.41 462.45 298.16 299.64 N 525C10H22O DECYL-ALCOHOL 158.283 346.4964 -.4199019 1.012526E-03 280.1 534.12 298.16 310.78 N 526C10H22S BUTYL-HEXYL-SULFIDE 174.343 382.1494 -.3693253 1.060867E-03 238.16 543.16 298.16 368.73 N 527C10H22S ETHYL-OCTYL-SULFIDE 174.343 382.1494 -.3693253 1.060867E-03 238.16 543.16 298.16 368.73 N 528C10H22S HEPTYL-PROPYL-SULFIDE 174.343 382.1494 -.3693253 1.060867E-03 238.16 543.16 298.16 368.73 N 529C10H22S METHYL-NONYL-SULFIDE 174.343 382.1494 -.3693253 1.060867E-03 238.16 543.16 298.16 368.73 N 530C10H22S PENTYL-SULFIDE 174.343 382.1494 -.3693253 1.060867E-03 238.16 543.16 298.16 368.73 N 531C10H22S 1-DECANETHIOL 174.343 384.7547 -.3729381 1.037235E-03 247.59 542.36 298.16 367.49 N 532C10H22S2PENTYL-DISULFIDE 206.403 358.9367 -.2519221 8.413472E-04 214.16 567.06 298.16 361.83 N 533C11H10 1-METHYLNAPHTHALENE 142.2 257.7842 -.2003411 5.835099E-04 242.7 547.82 298.16 251.02 N 534C11H10 2-METHYLNAPHTHALENE 142.2 232.7541 -7.841632E-02 2.238003E-04 307.7 544.22 312.08 229.61 Y 535C11H16 PENTYLBENZENE 148.247 265.7557 -.1877311 6.90357E-04 198.16 508.62 298.16 273.78 N 536C11H16 PENTAMETHYLBENZENE 148.247 326.4048 -.1799384 4.333229E-04 327.5 535.05 327.5 313.2 N 537C11H20 1-UNDECYNE 152.279 362.3009 -.4192144 1.155741E-03 248.16 498.16 298.16 341.77 N 538C11H22 1-UNDECENE 154.294 336.1205 -.373825 1.137568E-03 224 495.8 298.16 328.6 Y 539C11H22 1-CYCLOPENTYLHEXANE 154.294 313.3215 -.2587551 9.099616E-04 200.16 506.26 298.16 320.36 N 540C11H22 PENTYLCYCLOHEXANE 154.294 321.248 -.2865307 9.286433E-04 215.66 506.87 298.16 321.24 N 541C11H24 UNDECANE 156.31 369.5517 -.4673389 1.271024E-03 247.6 498.7 298.16 345.13 Y 542C11H24O UNDECYL-ALCOHOL 172.31 380.6341 -.5256795 1.20304E-03 292.16 546.16 298.16 329.42 N 543C11H24S BUTYL-HEPTYL-SULFIDE 188.37 427.0825 -.4445525 1.175802E-03 254.66 563.16 298.16 400.5 N 544C11H24S DECYL-METHYL-SULFIDE 188.37 427.0825 -.4445525 1.175802E-03 254.66 563.16 298.16 400.5 N 545C11H24S ETHYL-NONYL-SULFIDE 188.37 427.0825 -.4445525 1.175802E-03 254.66 563.16 298.16 400.5 N 546C11H24S OCTYL-PROPYL-SULFIDE 188.37 427.0825 -.4445525 1.175802E-03 254.66 563.16 298.16 400.5 N 547C11H24S 1-UNDECANETHIOL 188.37 431.9615 -.4693622 1.17256E-03 270.37 560.56 298.16 396.3 N 548C12H10 BIPHENYL 154.211 251.4985 -8.352469E-02 2.115252E-04 342.4 558.15 342.4 247.22 Y 549C12H12 1-ETHYLNAPHTHALENE 156.226 284.5099 -.2213621 6.069294E-04 259.35 561.49 298.16 272.8 N 550C12H12 2-ETHYLNAPHTHALENE 156.226 286.838 -.2302006 6.142022E-04 265.76 561.49 298.16 272.8 N 551C12H12 1,2-DIMETHYLNAPHTHALENE 156.226 305.5508 -.2699471 6.872815E-04 272.16 569.46 298.16 285.76 N 552C12H12 1,3-DIMETHYLNAPHTHALENE 156.226 302.1807 -.2625808 6.779653E-04 269.16 568.36 298.16 283.96 N 553C12H12 1,4-DIMETHYLNAPHTHALENE 156.226 311.1516 -.2860162 7.033393E-04 280.82 570.46 298.16 287.4 N 554C12H12 1,5-DIMETHYLNAPHTHALENE 156.226 294.3999 -.142304 3.20198E-04 355.16 568.16 355.16 283.63 N 555C12H12 1,6-DIMETHYLNAPHTHALENE 156.226 294.1921 -.2434225 6.564375E-04 259.16 566.16 298.16 280.37 N 556C12H12 1,7-DIMETHYLNAPHTHALENE 156.226 294.5617 -.244917 6.578905E-04 260.16 566.16 298.16 280.37 N 557C12H12 2,3-DIMETHYLNAPHTHALENE 156.226 302.8004 -.1651357 3.409121E-04 378.16 571.16 378.16 288.55 N 558C12H12 2,6-DIMETHYLNAPHTHALENE 156.226 294.1298 -.1705711 3.424318E-04 385.16 565.16 385.16 278.74 N 559C12H12 2,7-DIMETHYLNAPHTHALENE 156.226 293.3471 -.1562457 3.30701E-04 371.16 566.16 371.16 280.37 N 560C12H18 HEXYLBENZENE 162.274 300.9906 -.2220584 7.530641E-04 212.16 529.26 298.16 304.38 N 561C12H18 1,2,3-TRIETHYLBENZENE 162.274 287.3836 -.230458 7.868489E-04 206.66 520.6601 298.16 291.47 N 562C12H18 1,2,4-TRIETHYLBENZENE 162.274 287.3836 -.230458 7.868489E-04 206.66 520.6601 298.16 291.47 N 563C12H18 1,3,5-TRIETHYLBENZENE 162.274 285.1382 -.2291946 7.831616E-04 206.66 519.1601 298.16 289.24 N 564C12H18 HEXAMETHYLBENZENE 162.274 404.3094 -.3616445 5.969454E-04 438.66 566.6 438.66 360.1 Y 565C12H22 1-DODECYNE 166.305 397.674 -.4636891 1.235296E-03 254.16 518.1601 298.16 370.76 N 566C12H24 1-DODECENE 168.321 380.2977 -.4433904 1.253182E-03 238 516.5 298.16 362.1 Y 567C12H24 1-CYCLOPENTYLHEPTANE 168.321 355.0891 -.3343373 1.044171E-03 220 527.3 298.16 351.42 N 568C12H24 1-CYCLOHEXYLHEXANE 168.321 382.7536 -.4422608 1.132714E-03 263.6 527.86 298.16 352.27 N 569C12H26 DODECANE 170.337 414.3532 -.5408499 1.370802E-03 263.6 518.61 298.16 375.93 Y 570C12H26O DODECYL-ALCOHOL 186.336 418.3394 -.5973456 1.331825E-03 297.1 563.1 298.16 356.4 N 571C12H26S BUTYL-OCTYL-SULFIDE 202.397 464.1272 -.4860105 1.254038E-03 259.16 582.16 298.16 431.81 N 572C12H26S DECYL-ETHYL-SULFIDE 202.397 464.1272 -.4860105 1.254038E-03 259.16 582.16 298.16 431.81 N 573C12H26S HEXYL-SULFIDE 202.397 464.1272 -.4860105 1.254038E-03 259.16 582.16 298.16 431.81 N 574C12H26S METHYL-UNDECYL-SULFIDE 202.397 464.1272 -.4860105 1.254038E-03 259.16 582.16 298.16 431.81 N 575C12H26S NONYL-PROPYL-SULFIDE 202.397 464.1272 -.4860105 1.254038E-03 259.16 582.16 298.16 431.81 N 576C12H26S 1-DODECANETHIOL 202.397 458.3501 -.4764709 1.21142E-03 265.37 577.76 298.16 424.46 N 577C12H26S2HEXYL-DISULFIDE 234.457 414.7588 -.3111689 9.69591E-04 225.16 596.66 298.16 411.46 N 578C13H14 1-PROPYLNAPHTHALENE 170.253 313.4827 -.2647642 6.955448E-04 264.69 575.96 298.16 296.47 N 579C13H14 2-PROPYLNAPHTHALENE 170.253 317.1675 -.2751896 7.061216E-04 270.16 576.66 298.16 297.63 N 580C13H14 2ETHYL-3-METHYLNAPHTHALENE 170.253 313.8667 -.142952 3.33716E-04 344.16 580.16 344.16 303.47 N 581C13H14 2ETHYL-6-METHYLNAPHTHALENE 170.253 299.0179 -.1186507 3.096221E-04 318.16 573.16 318.16 291.84 N 582C13H14 2ETHYL-7-METHYLNAPHTHALENE 170.253 299.0179 -.1186507 3.096221E-04 318.16 573.16 318.16 291.84 N 583C13H20 1-PHENYLHEPTANE 176.301 338.1881 -.2723944 8.500243E-04 225.16 549.16 298.16 335.13 N 584C13H24 1-TRIDECYNE 180.332 440.4068 -.5418331 1.351061E-03 268.16 537.1601 298.16 399.44 N 585C13H26 1-TRIDECENE 182.348 434.5519 -.5285648 1.405987E-03 250.1 535.9 298.16 404.09 N 586C13H26 1-CYCLOPENTYLOCTANE 182.348 391.1118 -.3715061 1.103413E-03 229.16 546.86 298.16 381.52 N 587C13H26 1-CYCLOHEXYLHEPTANE 182.348 401.4602 -.4041723 1.127014E-03 242.66 548.06 298.16 383.4 N 588C13H28 TRIDECANE 184.364 448.7255 -.5575401 1.392899E-03 267.8 537.77 298.16 406.89 Y 589C13H28O 1-TRIDECANOL 200.363 392.8878 -.2011205 5.260161E-04 304.16 577.16 304.16 379.47 N 590C13H28S BUTYL-NONYL-SULFIDE 216.424 507.61 -.555117 1.35698E-03 271.16 600.16 298.16 462.51 N 591C13H28S DECYL-PROPYL-SULFIDE 216.424 507.61 -.555117 1.35698E-03 271.16 600.16 298.16 462.51 N 592C13H28S DODECYL-METHYL-SULFIDE 216.424 507.61 -.555117 1.35698E-03 271.16 600.16 298.16 462.51 N 593C13H28S ETHYL-UNDECYL-SULFIDE 216.424 507.61 -.555117 1.35698E-03 271.16 600.16 298.16 462.51 N 594C13H28S 1-TRIDECANETHIOL 216.424 502.9234 -.5633845 1.331282E-03 282.04 593.96 298.16 451.82 N 595C14H16 1-BUTYLNAPHTHALENE 184.28 338.1091 -.2665214 7.306133E-04 253.44 592.55 298.16 324.41 N 596C14H16 2-BUTYLNAPHTHALENE 184.28 344.5364 -.2952989 7.584234E-04 268.16 592.16 298.16 323.74 N 597C14H22 1-PHENYLOCTANE 190.327 373.6904 -.3092891 9.107786E-04 237.16 567.56 298.16 364.65 N 598C14H22 1,2,3,4-TETRAETHYLBENZENE 190.327 445.3734 -.5594068 1.303476E-03 284.96 554.16 298.16 393.05 N 599C14H22 1,2,3,5-TETRAETHYLBENZENE 190.327 443.4817 -.5535666 1.295098E-03 284.16 553.66 298.16 392.26 N 600C14H22 1,2,4,5-TETRAETHYLBENZENE 190.327 441.7666 -.549807 1.291454E-03 283.16 553.16 298.16 391.46 N 601C14H26 1-TETRADECYNE 194.359 475.7809 -.5867393 1.427281E-03 273.16 555.16 298.16 427.64 N 602C14H28 1-TETRADECENE 196.375 474.684 -.5949609 1.50925E-03 260.3 554.3 298.16 432.85 N 603C14H28 1-CYCLOPENTYLNONANE 196.375 432.1424 -.4401744 1.21057E-03 244.16 565.26 298.16 410.9 N 604C14H28 1-CYCLOHEXYLOCTANE 196.375 441.0957 -.4629911 1.222714E-03 253.46 566.76 298.16 413.35 N 605C14H30 TETRADECANE 198.391 493.4119 -.6259935 1.489295E-03 279.02 556.14 298.16 438.44 Y 606C14H30O 1-TETRADECANOL 214.39 377.8381 -.2205104 5.479782E-04 312.66 566.36 312.66 361.69 N 607C14H30S BUTYL-DECYL-SULFIDE 230.451 545.1466 -.6017684 1.43641E-03 276.16 617.16 298.16 492.41 N 608C14H30S DODECYL-ETHYL-SULFIDE 230.451 545.1466 -.6017684 1.43641E-03 276.16 617.16 298.16 492.41 N 609C14H30S HEPTYL-SULFIDE 230.451 545.1466 -.6017684 1.43641E-03 276.16 617.16 298.16 492.41 N 610C14H30S METHYL-TRIDECYL-SULFIDE 230.451 545.1466 -.6017684 1.43641E-03 276.16 617.16 298.16 492.41 N 611C14H30S PROPYL-UNDECYL-SULFIDE 230.451 545.1466 -.6017684 1.43641E-03 276.16 617.16 298.16 492.41 N 612C14H30S 1-TETRADECANETHIOL 230.451 530.2379 -.5817736 1.384602E-03 279.26 609.36 298.16 478.58 N 613C14H30S2HEPTYL-DISULFIDE 262.511 470.6042 -.3777986 1.106306E-03 235.16 623.86 298.16 459.44 N 614C15H18 1-PENTYLNAPHTHALENE 198.307 369.3459 -.2863848 7.87299E-04 251.16 610.16 298.16 354.99 N 615C15H18 2-PENTYLNAPHTHALENE 198.307 384.5773 -.3285245 8.327954E-04 269.16 613.16 298.16 360.3 N 616C15H24 1-PHENYLNONANE 204.354 409.8604 -.3491928 9.73382E-04 249.16 585.16 298.16 393.86 N 617C15H28 1-PENTADECYNE 208.386 514.7604 -.6567811 1.530096E-03 283.16 571.16 298.16 453.55 N 618C15H30 1-PENTADECENE 210.402 514.1969 -.659584 1.605775E-03 269.4 571.5 298.16 460.69 N 619C15H30 1-CYCLOPENTYLDECANE 210.402 467.7266 -.4871 1.293388E-03 251.03 582.54 298.16 439.45 N 620C15H30 1-CYCLOHEXYLNONANE 210.402 480.8706 -.5223209 1.317678E-03 262.96 584.66 298.16 443.02 N 621C15H32 PENTADECANE 212.417 529.9458 -.6504908 1.522672E-03 283.08 573.59 298.16 469.87 Y 622C15H32O 1-PENTADECANOL 228.417 449.1265 -.2352484 5.843961E-04 317.04 608.01 317.04 432.21 N 623C15H32S BUTYL-UNDECYL-SULFIDE 244.477 585.9476 -.6650378 1.531587E-03 284.16 633.16 298.16 521.37 N 624C15H32S DODECYL-PROPYL-SULFIDE 244.477 585.9476 -.6650378 1.531587E-03 284.16 633.16 298.16 521.37 N 625C15H32S ETHYL-TRIDECYL-SULFIDE 244.477 585.9476 -.6650378 1.531587E-03 284.16 633.16 298.16 521.37 N 626C15H32S METHYL-TETRADECYL-SULFIDE 244.477 585.9476 -.6650378 1.531587E-03 284.16 633.16 298.16 521.37 N 627C15H32S 1-PENTADECANETHIOL 244.477 571.5035 -.6591174 1.492831E-03 290.93 623.86 298.16 504.44 N 628C16H26 1-PHENYLDECANE 218.381 443.2645 -.3833894 1.02593E-03 258.78 601.05 298.16 421.05 N 629C16H26 PENTAETHYLBENZENE 218.381 456.0537 -.2606227 6.139718E-04 327.66 580.16 327.66 435.47 N 630C16H30 1-HEXADECYNE 222.413 550.396 -.7080325 1.612045E-03 288.16 587.16 298.16 480.24 N 631C16H32 1-HEXADECENE 224.428 550.8728 -.7233461 1.69973E-03 277.3 588 298.16 485.58 Y 632C16H32 1-CYCLOPENTYLUNDECANE 224.428 508.3097 -.5585011 1.400581E-03 263.16 598.76 298.16 467.09 N 633C16H32 1-CYCLOHEXYLDECANE 224.428 519.0087 -.5824816 1.412825E-03 271.43 600.82 298.16 470.65 N 634C16H34 HEXADECANE 226.444 573.1349 -.707507 1.602794E-03 291 590.5 300 502.48 Y 635C16H34O 1-HEXADECANOL 242.444 521.5002 -.2519935 6.205775E-04 322.46 647.16 322.46 503.36 N 636C16H34S BUTYL-DODECYL-SULFIDE 258.504 622.149 -.713599 1.611946E-03 288.16 648.16 298.16 549.24 N 637C16H34S ETHYL-TETRADECYL-SULFIDE 258.504 633.8104 -.7914027 1.746843E-03 288.16 648.16 298.16 549.24 N 638C16H34S METHYL-PENTADECYL-SULFIDE 258.504 622.149 -.713599 1.611946E-03 288.16 648.16 298.16 549.24 N 639C16H34S OCTYL-SULFIDE 258.504 622.149 -.713599 1.611946E-03 288.16 648.16 298.16 549.24 N 640C16H34S PROPYL-TRIDECYL-SULFIDE 258.504 622.149 -.713599 1.611946E-03 288.16 648.16 298.16 549.24 N 641C16H34S 1-HEXADECANETHIOL 258.504 599.5524 -.6892155 1.554857E-03 290.93 637.16 298.16 528.74 N 642C16H34S2OCTYL-DISULFIDE 290.564 526.8982 -.4512003 1.248597E-03 244.16 649.16 298.16 506.12 N 643C17H28 1-PHENYLUNDECANE 232.408 479.7076 -.4422818 1.126267E-03 268.16 616.36 298.16 447.99 N 644C17H32 1-HEPTADECYNE 236.439 588.957 -.7766659 1.714751E-03 295.16 602.16 298.16 505.98 N 645C17H34 1-HEPTADECENE 238.455 589.8775 -.7726196 1.765238E-03 284.36 603.22 298.16 514.400N 646C17H34 1-CYCLOPENTYLDODECANE 238.455 542.5786 -.6057978 1.482382E-03 268.16 614.06 298.16 493.89 N 647C17H34 1-CYCLOHEXYLUNDECANE 238.455 556.6256 -.6399487 1.501171E-03 278.96 616.26 298.16 497.81 N 648C17H36 HEPTADECANE 240.471 598.2518 -.743507 1.650227E-03 295 606 298.16 519.26 N 649C17H36O 1-HEPTADECANOL 256.47 486.9349 -.2689755 6.388641E-04 327 625.6001 327 466.13 N 650C17H36S BUTYL-TRIDECYL-SULFIDE 272.531 660.6669 -.7759475 .001705 294.16 662.16 298.16 575.87 N 651C17H36S ETHYL-PENTADECYL-SULFIDE 272.531 660.6669 -.7759475 .001705 294.16 662.16 298.16 575.87 N 652C17H36S HEXADECYL-METHYL-SULFIDE 272.531 660.6669 -.7759475 .001705 294.16 662.16 298.16 575.87 N 653C17H36S PROPYL-TETRADECYL-SULFIDE 272.531 660.6669 -.7759475 .001705 294.16 662.16 298.16 575.87 N 654C17H36S 1-HEPTADECANETHIOL 272.531 568.3615 -.2251037 6.205481E-04 300.37 651.16 300.37 554.89 N 655C18H30 1-PHENYLDODECANE 246.435 512.2522 -.476222 1.176863E-03 276.16 630.76 298.16 473.98 N 656C18H30 HEXAETHYLBENZENE 246.435 523.5062 -.453371 8.102111E-04 401.16 601.16 401.16 471.24 N 657C18H34 1-OCTADECYNE 250.466 546.7927 -.2508313 6.74783E-04 300.16 616.16 300.16 530.63 N 658C18H36 1-OCTADECENE 252.482 631.3307 -.8649161 1.917325E-03 290.8 618 298.16 540.49 N 659C18H36 1-CYCOPENTYLTRIDECANE 252.482 582.0896 -.6752961 1.581993E-03 278.16 628.56 298.16 519.97 N 660C18H36 1-CYCLOHEXYLDODECANE 252.482 594.223 -.7015735 1.596122E-03 285.66 630.86 298.16 524.16 N 661C18H38 OCTADECANE 254.498 561.469 -.2730905 7.243922E-04 301.3 619.5 301.3 543.18 N 662C18H38O 1-OCTADECANOL 270.497 508.95 -.2845413 6.642709E-04 331 634.95 331 486.29 N 663C18H38S BUTYL-TETRADECYL-SULFIDE 286.558 697.6482 -.8271272 1.782471E-03 298.16 676.16 298.16 603.11 N 664C18H38S ETHYL-HEXADECYL-SULFIDE 286.558 697.6482 -.8271272 1.782471E-03 298.16 676.16 298.16 603.11 N 665C18H38S HEPTADECYL-METHYL-SULFIDE 286.558 697.6482 -.8271272 1.782471E-03 298.16 676.16 298.16 603.11 N 666C18H38S NONYL-SULFIDE 286.558 697.6482 -.8271272 1.782471E-03 298.16 676.16 298.16 603.11 N 667C18H38S PENTADECYL-PROPYL-SULFIDE 286.558 697.6482 -.8271272 1.782471E-03 298.16 676.16 298.16 603.11 N 668C18H38S 1-OCTADECANETHIOL 286.558 591.688 -.2320695 6.394245E-04 300.93 663.16 300.93 577.8 N 669C18H38S2NONYL-DISULFIDE 318.618 581.9699 -.5261176 1.384124E-03 252.16 672.16 298.16 550.26 N 670C19H32 1-PHENYLTRIDECANE 260.461 543.6499 -.5072986 1.221628E-03 283.16 644.36 298.16 499.11 N 671C19H36 1-NONADECYNE 264.493 573.7683 -.2680469 7.033538E-04 306.16 630.16 306.16 555.88 N 672C19H38 1-NONADECENE 266.509 664.7043 -.8976276 1.947264E-03 296.56 631.66 298.16 565.2 N 673C19H38 1-CYCLOPENTYLTETRADECANE 266.509 613.417 -.7149998 1.652146E-03 282 642.16 298.16 545.01 N 674C19H38 1-CYCLOHEXYLTRIDECANE 266.509 630.4597 -.7585415 1.68216E-03 291.66 644.66 298.16 549.67 N 675C19H40 NONADECANE 268.525 583.0633 -.2410397 6.471719E-04 305 633.15 305 567.93 N 676C19H40O 1-NONADECANOL 284.524 553.437 -.2959317 6.847683E-04 334.87 659.005 334.87 529.64 N 677C19H40S BUTYL-PENTADECYL-SULFIDE 300.585 644.5607 -.2510903 6.835996E-04 303.16 689.16 303.16 628.94 N 678C19H40S ETHYL-HEPTADECYL-SULFIDE 300.585 644.5607 -.2510903 6.835996E-04 303.16 689.16 303.16 628.94 N 679C19H40S HEXADECYL-PROPYL-SULFIDE 300.585 644.5607 -.2510903 6.835996E-04 303.16 689.16 303.16 628.94 N 680C19H40S METHYL-OCTADECYL-SULFIDE 300.585 644.5607 -.2510903 6.835996E-04 303.16 689.16 303.16 628.94 N 681C19H40S 1-NONADECANETHIOL 300.585 616.9435 -.2500833 6.686343E-04 307.04 675.16 307.04 601.14 N 682C20H34 1-PHENYLTETRADECANE 274.488 573.7506 -.537621 1.267382E-03 289.16 657.16 298.16 523.29 N 683C20H38 1-EICOSYNE 278.52 599.0401 -.2811775 7.284567E-04 309.16 643.16 309.16 579.87 N 684C20H40 1-EICOSENE 280.536 608.4817 -.2840442 7.559275E-04 301.76 644.86 301.76 589.63 N 685C20H40 1-CYCLOPENTYLPENTADECANE 280.536 655.4908 -.8149036 1.806284E-03 290 655 298.16 569.17 N 686C20H40 1-CYCLOHEXYLTETRADECANE 280.536 665.3303 -.8172149 1.769309E-03 297.16 657.16 298.16 573.29 N 687C20H42 EICOSANE 282.551 615.931 -.3108253 7.912572E-04 310 647 310 593.64 N 688C20H42O 1-EICOSANOL 298.551 551.8545 -.3119722 7.061145E-04 339 654.5 339 525.81 N 689C20H42S BUTYL-HEXADECYL-SULFIDE 314.611 670.8407 -.268678 7.124896E-04 308.16 701.16 308.16 653.24 N 690C20H42S DECYL-SULFIDE 314.611 670.8407 -.268678 7.124896E-04 308.16 701.16 308.16 653.24 N 691C20H42S ETHYL-OCTADECYL-SULFIDE 314.611 670.8407 -.268678 7.124896E-04 308.16 701.16 308.16 653.24 N 692C20H42S HEPTADECYL-PROPYL-SULFIDE 314.611 670.8407 -.268678 7.124896E-04 308.16 701.16 308.16 653.24 N 693C20H42S METHYL-NONADECYL-SULFIDE 314.611 670.8407 -.268678 7.124896E-04 308.16 701.16 308.16 653.24 N 694C20H42S 1-EICOSANETHIOL 314.611 640.1282 -.263151 6.918234E-04 310.37 686.16 310.37 622.93 N 695C20H42S2DECYL-DISULFIDE 346.671 636.7532 -.6099651 1.528484E-03 259.16 693.16 298.16 591.99 N 696C21H36 1-PHENYLPENTADECANE 288.515 607.8745 -.6010601 1.370632E-03 295.16 669.16 298.16 546.41 N 697C21H42 1-CYCLOPENTYLHEXADECANE 294.562 686.8347 -.8481331 1.843712E-03 294.16 667.16 298.16 592.53 N 698C21H42 1-CYCLOHEXYLPENTADECANE 294.562 614.2168 -.251495 6.82352E-04 302.16 670.16 302.16 598.36 N 699C22H38 1-PHENYLHEXADECANE 302.542 579.507 -.187461 5.379415E-04 300.16 681.16 300.16 569.98 N 700C22H44 1-CYCLOHEXYLHEXADECANE 308.589 639.5113 -.2671767 7.086616E-04 306.76 682.16 306.76 621.96 N