!MCH_tran_dat.txt !2009-12-01 WJP: added MCH and Toluene species to PRF transport file !CURRAN, H. J., PITZ, W. J., AND WESTBROOK, C. K., 2002 !MM: added iso-octane/n-heptane species !Website version !LLNL-MI-421252 !Review and release date: December 12, 2009 ! ar 0 136.500 3.330 0.000 0.000 0.000 rr 0 136.500 3.330 0.000 0.000 0.000 as 0 1045.500 4.580 0.000 0.000 0.000 ! MEC ash 1 199.300 4.215 0.000 0.000 1.000 ! MEC ash2 2 229.600 4.180 0.000 0.000 1.000 ! MEC c 0 71.400 3.298 0.000 0.000 0.000 ! * c2 1 97.530 3.621 0.000 1.760 4.000 c2o 1 232.400 3.828 0.000 0.000 1.000 ! * cn2 1 232.400 3.828 0.000 0.000 1.000 ! OIS c2h 1 265.300 3.721 0.000 0.000 2.500 ! NMM c2h2 1 265.300 3.721 0.000 0.000 2.500 ! NMM c2h2oh 2 224.700 4.162 0.000 0.000 1.000 ! * c2h3 2 265.300 3.721 0.000 0.000 1.000 ! NMM c2h4 2 238.400 3.496 0.000 0.000 1.500 ! NMM c2h5 2 247.500 4.350 0.000 0.000 1.500 ! NMM c2h5oh 2 470.600 4.410 0.000 0.000 1.500 ! NMM ch3och3 2 395.0 4.037 1.3 0.0 1.0 ! sve,rpd ch3och2 2 395.0 4.037 1.3 0.0 1.0 ! ch3och3 ch3och2o2 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3och2o2h 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3och2o 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 o2ch2och2o2h 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ho2ch2ocho 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 och2ocho 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 hoch2oco 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3ocho 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3oco 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch2ocho 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 hoch2o 2 470.600 4.410 0.000 0.000 1.500 ! WJP hoch2o2 2 481.800 3.626 1.7 0.000 1.000 ! ch3oh hoch2o2h 2 481.800 3.626 1.7 0.000 1.000 ! ch3oh och2o2h 2 481.800 3.626 1.7 0.000 1.000 ! ch3oh ch2o2h 2 481.800 3.626 0.000 0.000 1.000 ! CH3OOH c2h4o2h 2 470.600 4.410 0.000 0.000 1.500 ! WJP o2c2h4o2h 2 470.600 4.410 0.000 0.000 1.500 ! WJP c2h5o2 2 470.600 4.410 0.000 0.000 1.500 ! WJP c2h5o2h 2 470.600 4.410 0.000 0.000 1.500 ! WJP o2c2h4oh 2 523.2 5.664 1.7 0.0 1.0 ! WJP c2h4o1,2 2 387.3 4.349 0.000 0.000 1.500 ! WJP c2h5o 2 470.600 4.410 0.000 0.000 1.500 ! NMM pc2h4oh 2 470.600 4.410 0.000 0.000 1.500 ! NMM sc2h4oh 2 470.600 4.410 0.000 0.000 1.500 ! NMM o2c2h4oh 2 523.2 5.664 1.7 0.0 1.0 ! WJP c2h4o1,2 2 387.3 4.349 0.000 0.000 1.500 ! WJP c2h6 2 247.500 4.350 0.000 0.000 1.500 ! NMM c2n 1 232.400 3.828 0.000 0.000 1.000 ! OIS c2n2 1 349.000 4.361 0.000 0.000 1.000 ! OIS c3h2 2 209.000 4.100 0.000 0.000 1.000 ! * c3h2(s) 2 209.000 4.100 0.000 0.000 1.000 ! * c3h3 1 324.800 4.290 0.000 0.000 1.000 ! NMM c4h3 1 357.000 4.720 0.000 0.000 1.000 ! NMM c3h4o 2 443.200 4.120 0.000 0.000 1.000 ! NMM chchcho 2 443.200 4.120 0.000 0.000 1.000 ! NMM hcccho 2 443.200 4.120 0.000 0.000 1.000 ! NMM hccco 2 443.200 4.120 0.000 0.000 1.000 ! NMM h2cchco 2 443.200 4.120 0.000 0.000 1.000 ! NMM ch3cco 2 443.200 4.120 0.000 0.000 1.000 ! NMM ch3chco 2 443.200 4.120 0.000 0.000 1.000 ! NMM ch2chco 2 443.200 4.120 0.000 0.000 1.000 ! NMM c2h3co 2 443.200 4.120 0.000 0.000 1.000 ! NMM !c2h5cho 2 424.600 4.820 0.000 0.000 1.000 ! NMM ch2ch2cho 2 424.600 4.820 0.000 0.000 1.000 ! NMM c2h5co 2 424.600 4.820 0.000 0.000 1.000 ! NMM ch3coch3 2 435.500 4.860 0.000 0.000 1.000 ! NMM ch3coch2 2 435.500 4.860 0.000 0.000 1.000 ! NMM ac3h4 1 324.800 4.290 0.000 0.000 1.000 ! allene, NMM c3h4-a 1 324.800 4.290 0.000 0.000 1.000 ! allene, NMM pc3h4 1 324.800 4.290 0.000 0.000 1.000 ! NMM c3h4-p 1 324.800 4.290 0.000 0.000 1.000 ! NMM c3h4c 2 324.800 4.290 0.000 0.000 1.000 ! NMM c3h6 2 307.800 4.140 0.000 0.000 1.000 ! NMM c3h6oh 2 487.900 4.820 0.000 0.000 1.000 ! NMM hoc3h6o2 2 487.900 4.820 0.000 0.000 1.000 ! NMM !c3h6o 2 411.000 4.820 0.000 0.000 1.000 ! NMM c3h5o 2 411.000 4.820 0.000 0.000 1.000 ! NMM c3h51-2,3ooh 2 481.5 4.997 1.7 0.0 1.0 ! WJP, ANALOGY WITH 1-PROPANOL c3h52-1,3ooh 2 481.5 4.997 1.7 0.0 1.0 ! WJP, ANALOGY WITH 1-PROPANOL ac3h5ooh 2 481.5 4.997 1.7 0.0 1.0 ! WJP NC3H7OH c3h7 2 303.400 4.810 0.000 0.000 1.000 ! NMM ch3och3 2 395.0 4.037 1.3 0.0 1.0 ! SVE,RPD ch3och2 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3och2o2 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch2och2o2h 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3och2o2h 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3och2oh 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3och2o 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3ocho 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch3oco 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 ch2ocho 2 395.0 4.037 1.3 0.0 1.0 ! CH3OCH3 !c4h6 2 357.000 4.720 0.000 0.000 1.000 ! NMM c4h6 2 350.4 4.984 0.0 0.0 1.0 ! WJP: 1,3 butadiene, TcPc, Poling 4th Ed. ic3h7 2 303.400 4.810 0.000 0.000 1.000 ! NMM nc3h7 2 303.400 4.810 0.000 0.000 1.000 ! NMM !ic3h7o 2 468.300 4.760 0.000 0.000 1.000 ! NMM !nc3h7o 2 487.900 4.820 0.000 0.000 1.000 ! NMM c3h8 2 303.400 4.810 0.000 0.000 1.000 ! NMM c4h 1 357.000 4.720 0.000 0.000 1.000 ! NMM c4h2 1 357.000 4.720 0.000 0.000 1.000 ! NMM c4h2oh 2 224.700 4.162 0.000 0.000 1.000 ! * ch3chcch 2 355.000 4.650 0.000 0.000 1.000 ! NMM ic4h7 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h7 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h71-1 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h71-2 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h71-3 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h72-2 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h71-4 2 355.000 4.650 0.000 0.000 1.000 ! C4H8 WJP c4h8 2 355.000 4.650 0.000 0.000 1.000 ! NMM !c4h8-1 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h8-1 2 345.7 5.088 0.3 0.0 1.0 ! WJP: c4h8-1, TcPc, Poling 4th Ed. !c4h8-2 2 355.000 4.650 0.000 0.000 1.000 ! NMM c4h8-2 2 354.1 5.135 0.0 0.0 1.0 ! WJP: c4h8-2 trans, TcPc, Poling 4th Ed. !ic4h8 2 355.000 4.650 0.000 0.000 1.000 ! NMM ic4h8 2 344.5 5.089 0.5 0.0 1.0 ! WJP: ic4h8, TcPc, Poling 4th Ed. pc4h9 2 352.000 5.240 0.000 0.000 1.000 ! NMM c4h9 2 352.000 5.240 0.000 0.000 1.000 ! NMM sc4h9 2 352.000 5.240 0.000 0.000 1.000 ! NMM tc4h9 2 352.000 5.240 0.000 0.000 1.000 ! NMM ic4h9 2 352.000 5.240 0.000 0.000 1.000 ! NMM pc4h9o 2 496.000 5.200 0.000 0.000 1.000 ! NMM tc4h9o 2 496.000 5.200 0.000 0.000 1.000 ! NMM sc4h9o 2 496.000 5.200 0.000 0.000 1.000 ! NMM ic4h9o 2 496.000 5.200 0.000 0.000 1.000 ! NMM pc4h9o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP sc4h9o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP pc4h9o2h 2 496.000 5.200 0.000 0.000 1.000 ! WJP sc4h9o2h 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8oh-1 2 496.000 5.200 0.000 0.000 1.000 ! NMM sc4h9o 2 496.000 5.200 0.000 0.000 1.000 ! NMM ic4h9o 2 496.000 5.200 0.000 0.000 1.000 ! NMM c4h8oh-2 2 496.000 5.200 0.000 0.000 1.000 ! NMM ic4h8oh 2 496.000 5.200 0.000 0.000 1.000 ! NMM o2c4h8oh-1 2 496.000 5.200 0.000 0.000 1.000 ! * o2c4h8oh-2 2 496.000 5.200 0.000 0.000 1.000 ! * io2c4h8oh 2 496.000 5.200 0.000 0.000 1.000 ! * c4h8o1-2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8o1-3 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8o1-4 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8o2-3 2 496.000 5.200 0.000 0.000 1.000 ! WJP !ic4h7oh 2 496.000 5.200 0.000 0.000 1.000 ! NMM o2c4h8oh-1 2 496.000 5.200 0.000 0.000 1.000 ! WJP o2c4h8oh-2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh1-1 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh2-2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh1-2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh1-3 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh1-4 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh2-1 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh2-3 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh2-4 2 496.000 5.200 0.000 0.000 1.000 ! WJP tic4h7q2-i 2 600.078 6.009 0.000 0.000 0.000 ! TC4H8OOH-IO2 MM iic4h7q2-t 2 600.078 6.009 0.000 0.000 0.000 ! TC4H8OOH-IO2 MM iic4h7q2-i 2 600.078 6.009 0.000 0.000 0.000 ! TC4H8OOH-IO2 MM c4h8ooh1-2o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh1-3o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh1-4o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh2-1o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh2-3o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP c4h8ooh2-4o2 2 496.000 5.200 0.000 0.000 1.000 ! WJP io2c4h8oh 2 496.000 5.200 0.000 0.000 1.000 ! * c4h7o 2 496.000 5.200 0.000 0.000 1.000 ! NMM ic4h7o 2 496.000 5.200 0.000 0.000 1.000 ! NMM !c4h10 2 352.000 5.240 0.000 0.000 1.000 ! NMM !ic4h10 2 352.000 5.240 0.000 0.000 1.000 ! NMM c5h2 1 408.000 5.200 0.000 0.000 1.000 ! NMM c5h3 1 408.000 5.200 0.000 0.000 1.000 ! NMM c5h5 1 408.000 5.200 0.000 0.000 1.000 ! NMM c5h6 1 408.000 5.200 0.000 0.000 1.000 ! NMM c5h7 2 408.000 5.200 0.000 0.000 1.000 ! NMM cyc5h7 2 408.000 5.200 0.000 0.000 1.000 ! !c5h8 2 408.000 5.200 0.000 0.000 1.000 ! NMM !c5h81-3 2 408.000 5.200 0.000 0.000 1.000 ! NMM !c6h2 1 408.000 5.200 0.000 0.000 1.000 ! NMM c6h2 2 415.0 5.715 0.0 0.0 1.0 ! wjp, 1,5-hexadiene, TcPc, Poling 4th Edition c6h4 2 412.300 5.349 0.000 0.000 1.000 ! JAM c6h5 2 412.300 5.349 0.000 0.000 1.000 ! JAM c6h5(l) 2 412.300 5.349 0.000 0.000 1.000 ! JAM c6h5oh 2 450.000 5.500 0.000 0.000 1.000 ! NMM c6h5o 2 450.000 5.500 0.000 0.000 1.000 ! JAM oketphnl 2 450.000 5.500 0.000 0.000 1.000 ! c6h4o2 2 450.000 5.500 0.000 0.000 1.000 c5h4o 2 450.000 5.500 0.000 0.000 1.000 ! NMM c5h4oh 2 450.000 5.500 0.000 0.000 1.000 ! NMM c5h5o 2 450.000 5.500 0.000 0.000 1.000 ! NMM c5h5oh 2 450.000 5.500 0.000 0.000 1.000 ! NMM c6h5c2h 2 468.500 5.230 0.000 0.000 1.000 ! NMM lc6h5 2 426.300 5.510 0.000 0.000 1.000 lc3h3c3h2 2 426.300 5.510 0.000 0.000 1.000 lc3h4c3h2 2 426.300 5.510 0.000 0.000 1.000 lc3h3c3h3 2 426.300 5.510 0.000 0.000 1.000 c6h6 2 468.500 5.230 0.000 10.30 1.000 ! NMM c6h7 2 468.500 5.230 0.000 0.000 1.000 ! NMM cyc6h7 2 468.500 5.230 0.000 0.000 1.000 ! NMM cyc6h8 2 468.500 5.230 0.000 0.000 1.000 ! NMM c6h5ch2 2 495.300 5.680 0.000 0.000 1.000 ! NMM c6h5ch3 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 c6h4ch3 2 495.300 5.680 0.000 0.000 1.000 ! NMM ch3c6h4 2 495.300 5.680 0.000 0.000 1.000 ! NMM c6h5co 2 622.400 5.530 0.000 0.000 1.000 ! NMM c6h5cho 2 622.400 5.530 0.000 0.000 1.000 ! NMM c6h5ch2oh 2 622.400 5.530 0.000 0.000 1.000 ! NMM oc6h4ch3 2 621.100 5.640 0.000 0.000 1.000 ! NMM hoc6h4ch3 2 621.100 5.640 0.000 0.000 1.000 ! NMM xylylene 2 523.600 6.182 0.000 0.000 1.000 xylylrad 2 523.600 6.182 0.000 0.000 1.000 !c6h5c2h5 2 523.600 5.960 0.000 0.000 1.000 ! NMM c6h5c2h5 2 520.1 5.956 0.4 0.0 1.0 ! WJP: ethyl benzene,TcPc, Poling 4th&5th Ed., NIST Webbook ach3c2h3 2 523.600 5.960 0.000 0.000 1.000 ach3c2h5 2 523.600 5.960 0.000 0.000 1.000 ach2rc2h3 2 523.600 5.960 0.000 0.000 1.000 ach3ch3 2 523.600 5.960 0.000 0.000 1.000 ! ach3rch2 2 523.600 5.960 0.000 0.000 1.000 c6h9 2 426.300 5.510 0.000 0.000 1.000 ! NMM c6h10 2 426.300 5.510 0.000 0.000 1.000 ! NMM c8h14 2 494.000 6.170 0.000 0.000 1.000 ! NMM c8h16-c 2 538.1 6.112 0.0 0.0 1.0 ! TCPC c8h16-1-5 2 511.5 6.297 0.0 0.0 1.0 ! TCPC ic8h14 2 494.000 6.170 0.000 0.000 1.000 ! NMM c6h5c2h3 2 546.200 6.000 0.130 15.00 1.000 ! NMM c6h5chch 2 546.200 6.000 0.000 0.000 1.000 ! NMM c6h5cch2 2 546.200 6.000 0.000 0.000 1.000 c6h5c2h 2 534.300 5.710 0.770 0.000 1.000 ! NMM c6h5c2 2 534.300 5.710 0.000 0.000 1.000 ! NMM c6h4c2h3 2 546.200 6.000 0.000 0.000 1.000 ! NMM c6h4c2h 2 534.300 5.710 0.000 0.000 1.000 ! NMM aac2h5 2 695.000 6.530 0.000 0.000 1.000 aac2h3 2 689.800 6.500 0.000 0.000 1.000 aarcch2 2 689.800 6.500 0.000 0.000 1.000 aacch 2 689.800 6.500 0.000 0.000 1.000 aracch 2 689.800 6.500 0.000 0.000 1.000 arac2h3 2 687.200 6.490 0.000 0.000 1.000 c6h5cco 2 588.200 5.940 0.000 0.000 1.0001 c10h7 2 630.400 6.180 0.000 0.000 1.000 ! NMM c10h7o 2 630.400 6.180 0.000 0.000 1.000 ! NMM ac2h3c2h5 2 630.400 6.180 0.000 0.000 1.000 ac2h3c2h3 2 630.400 6.180 0.000 0.000 1.000 c10h8 2 630.400 6.180 0.000 16.50 1.000 ! NMM c10h9 2 630.400 6.180 0.000 0.000 1.000 ! NMM c10h10 2 630.400 6.180 0.000 0.000 1.000 ! NMM c10h7ch2 2 660.00 6.350 0.000 0.000 1.000 ! NMM aach3ch2 2 660.0 6.350 0.000 0.000 1.000 c10h7oh 2 663.45 6.362 0.000 0.000 1.000 c10h7ch3 2 660.0 6.350 0.000 0.000 1.000 ! NMM flrnthn 2 812.3 7.170 0.000 0.000 1.000 ! NMM acephen 2 812.3 7.170 0.000 0.000 1.000 anthracn 2 772.0 6.960 0.000 25.40 1.000 ch3indene 2 625.0 6.150 0.000 0.000 1.000 ch3indenyl 2 625.0 6.150 0.000 0.000 1.000 aaach3 2 783.9 6.995 0.000 0.000 1.000 p1henanol 2 783.9 6.995 0.000 0.000 1.000 p5henanol 2 783.9 6.995 0.000 0.000 1.000 p1hanoxy 2 783.9 6.995 0.000 0.000 1.000 p5hanoxy 2 783.9 6.995 0.000 0.000 1.000 aaarch2 2 783.9 6.995 0.000 0.000 1.000 aaac2h5 2 816.6 7.160 0.000 0.000 1.000 aaac2h3 2 812.0 7.137 0.000 0.000 1.000 phnthrn 2 772.0 6.960 0.000 38.80 1.000 pentanaph 2 772.0 6.960 0.000 0.000 1.000 penaprad 2 772.0 6.960 0.000 0.000 1.000 p1hnthrnyl 2 772.0 6.960 0.000 38.80 1.000 ! NMM p5hnthrnyl 2 772.0 6.960 0.000 38.80 1.000 pyrene 2 834.9 7.240 0.000 0.000 1.000 ! NMM cy5pyren 2 862.0 7.382 0.000 0.000 1.000 h4pentdef 2 834.9 7.240 0.000 0.000 1.000 h4pdfrad 2 834.9 7.240 0.000 0.000 1.000 pyrenyl 2 834.9 7.240 0.000 0.000 1.000 ! NMM dhpyrene 2 834.9 7.240 0.000 0.000 1.000 benzoap 2 832.5 7.550 1.400 0.000 1.000 ! NMM smiley 2 832.5 7.550 0.000 0.000 1.000 benzoghi 2 832.5 7.550 0.000 0.000 1.000 cpentacd 2 832.5 7.550 0.000 0.000 1.000 acec10h8 2 695.4 6.760 0.000 0.000 1.000 ! NMM acec10h7 2 695.4 6.760 0.000 0.000 1.000 indene 2 588.6 5.960 0.650 0.000 1.000 ! NMM indenyl 2 588.6 5.960 0.000 0.000 1.000 ! NMM ch3ndene 2 588.6 5.960 0.000 0.000 1.000 ! NMM ch3ndnyl 2 588.6 5.960 0.000 0.000 1.000 ! NMM ch3flrne 2 712.6 6.890 0.000 0.000 1.000 ch3flrnl 2 712.6 6.890 0.000 0.000 1.000 flrene 2 712.6 6.890 0.000 0.000 1.000 flrnylp 2 712.6 6.890 0.000 0.000 1.000 flrnyla 2 712.6 6.890 0.000 0.000 1.000 ch2flrne 2 712.6 6.890 0.000 0.000 1.000 c6h5c5h5 2 783.800 6.640 0.000 0.000 1.000 c6h5c5h4 2 783.800 6.640 0.000 0.000 1.000 bibenzyl 2 783.800 6.640 0.000 0.000 1.000 ! NMM stilbene 2 772.0 6.960 0.000 0.000 1.000 ! NMM stilbnrd 2 772.0 6.960 0.000 0.000 1.000 ! NMM anthracn 2 772.0 6.960 0.000 0.000 1.000 ! NMM dhanthrn 2 772.0 6.960 0.000 0.000 1.000 obzyltol 2 772.0 6.960 0.000 0.000 1.000 obzyltlr 2 772.0 6.960 0.000 0.000 1.000 dmdp 2 712.6 6.890 0.000 0.000 1.000 dmdprd 2 712.6 6.890 0.000 0.000 1.000 ch 1 80.000 2.750 0.000 0.000 0.000 ch2 1 144.000 3.800 0.000 0.000 0.000 sch2 1 144.000 3.800 0.000 0.000 0.000 ch2(s) 1 144.000 3.800 0.000 0.000 0.000 ch2chcch 2 373.700 4.790 0.000 0.000 1.000 ! NMM ch2chcch2 2 373.700 4.790 0.000 0.000 1.000 ! NMM ch3ccch2 2 357.100 4.720 0.000 0.000 1.000 ch3chcch2 2 357.100 4.720 0.000 0.000 1.000 ch2ch2cch 2 373.700 4.790 0.000 0.000 1.000 ! NMM ch2chch2 2 316.000 4.220 0.000 0.000 1.000 ! NMM ac3h5 2 316.000 4.220 0.000 0.000 1.000 c3h5-a 2 316.000 4.220 0.000 0.000 1.000 ch2chchch 2 357.100 4.720 0.000 0.000 1.000 ! NMM chchchch 2 357.100 4.720 0.000 0.000 1.000 ! NMM ch2chchch2 2 357.100 4.720 0.000 0.000 1.000 ! NMM !ch2co 2 436.000 3.970 0.000 0.000 2.000 !ketene ch2co 2 314.3 4.191 1.4 0.0 2.0 ! wjp: ketene, TcPc, Poling 4th Ed. Rot no. from Chemkin Tranport database c2h3o1,2 2 436.000 3.970 0.000 0.000 2.000 ! WJP SAME AS CH2CO c2h3o1-2 2 436.000 3.970 0.000 0.000 2.000 ! WJP SAME AS CH2CO c2h3ooh 2 428.8 4.958 2.9 0.0 1.0 ! WJP: C2H3CHO c2h4o1-2 2 436.000 3.970 0.000 0.000 2.000 ! WJP SAME AS CH2CO ch2o 2 498.000 3.590 0.000 0.000 2.000 ocho 2 498.000 3.590 0.000 0.000 2.000 ! WJP hcoh 2 498.000 3.590 0.000 0.000 1.000 h2co 2 498.000 3.590 0.000 0.000 2.000 ch2oh 2 417.000 3.690 1.700 0.000 2.000 ch2hco 2 436.000 3.970 0.000 0.000 2.000 ch2cho 2 436.000 3.970 0.000 0.000 2.000 chocho 1 440.200 4.010 0.000 0.000 2.000 ! NMM choco 1 440.200 4.010 0.000 0.000 2.000 ! NMM hco2h 2 481.800 3.626 1.7 0.000 1.000 ! CH3OH ch3 1 144.000 3.800 0.000 0.000 0.000 ch3cc 2 252.000 4.760 0.000 0.000 1.000 ! JAM ch3chcch 2 373.700 4.790 0.000 0.000 1.000 ! NMM ch3ccch2 2 357.100 4.720 0.000 0.000 1.000 ! NMM ch3ccch3 2 357.100 4.720 0.000 0.000 1.000 ! NMM ch3cch2 2 316.000 4.220 0.000 0.000 1.000 ! NMM tc3h5 2 316.000 4.220 0.000 0.000 1.000 c3h5-t 2 316.000 4.220 0.000 0.000 1.000 ch3chch 2 316.000 4.220 0.000 0.000 1.000 ! NMM sc3h5 2 316.000 4.220 0.000 0.000 1.000 c3h5-s 2 316.000 4.220 0.000 0.000 1.000 ch3ch2cch 2 357.100 4.720 0.000 0.000 1.000 ! NMM ch3hco 2 436.000 3.970 0.000 0.000 2.000 ch3cho 2 436.000 3.970 0.000 0.000 2.000 hocho 2 436.000 3.970 0.000 0.000 2.000 ! WJP ch3co 2 436.000 3.970 0.000 0.000 2.000 ch3co2 2 436.000 3.970 0.000 0.000 2.000 ! WJP ch3co3 2 436.000 3.970 0.000 0.000 2.000 ! WJP ch3co3h 2 436.000 3.970 0.000 0.000 2.000 ! WJP ho2cho 2 436.000 3.970 0.000 0.000 2.000 ! WJP o2cho 2 436.000 3.970 0.000 0.000 2.000 ! WJP ch3o 2 417.000 3.690 1.700 0.000 2.000 ch3oh 2 481.800 3.626 0.000 0.000 1.000 ! SVE ch3o2 2 481.800 3.626 0.000 0.000 1.000 ! WJP ch3o2h 2 481.800 3.626 0.000 0.000 1.000 ! WJP ch4 2 141.400 3.746 0.000 2.600 13.000 ch4o 2 417.000 3.690 1.700 0.000 2.000 cn 1 75.000 3.856 0.000 0.000 1.000 ! OIS cnc 1 232.400 3.828 0.000 0.000 1.000 ! OIS cnn 1 232.400 3.828 0.000 0.000 1.000 ! OIS co 1 98.100 3.650 0.000 1.950 1.800 co2 1 244.000 3.763 0.000 2.650 2.100 f 0 80.000 2.750 0.000 0.000 0.000 f2 1 125.700 3.301 0.000 1.600 3.800 h 0 145.000 2.050 0.000 0.000 0.000 gah 1 335.500 4.240 0.000 0.000 1.000 ! MEC h2c4o 2 357.000 5.180 0.000 0.000 1.000 ! JAM h2 1 38.000 2.920 0.000 0.790 280.000 h2ccc 2 265.300 3.721 0.000 0.000 1.000 ! * h2ccc(s) 2 265.300 3.721 0.000 0.000 1.000 ! * h2ccch 2 252.000 4.760 0.000 0.000 1.000 ! JAM h2cccch 2 357.100 4.720 0.000 0.000 1.000 ! NMM h2cccch2 2 357.100 4.720 0.000 0.000 1.000 ! NMM h2ccccch 1 408.000 5.200 0.000 0.000 1.000 ! NMM h2cn 1 569.000 3.630 0.000 0.000 1.000 ! OS/JM h2no 2 116.700 3.492 0.000 0.000 1.000 ! JAM h2o 2 572.400 2.605 1.844 0.000 4.000 h2o2 2 107.400 3.458 0.000 0.000 3.800 h2s 2 301.000 3.600 0.000 0.000 1.000 ! OIS hc2n2 1 349.000 4.361 0.000 0.000 1.000 ! OIS hcchcch 2 357.100 4.720 0.000 0.000 1.000 ! NMM hcco 2 150.000 2.500 0.000 0.000 1.000 ! * hccoh 2 436.000 3.970 0.000 0.000 2.000 hccchcch 1 408.000 5.200 0.000 0.000 1.000 ! NMM hcn 1 569.000 3.630 0.000 0.000 1.000 ! OIS hco 2 498.000 3.590 0.000 0.000 0.000 hco+ 1 498.000 3.590 0.000 0.000 0.000 he 0 10.200 2.576 0.000 0.000 0.000 ! * hf 1 330.000 3.148 1.920 2.460 1.000 ! SV/MEC hf0 1 352.000 2.490 1.730 0.000 5.000 hf1 1 352.000 2.490 1.730 0.000 5.000 hf2 1 352.000 2.490 1.730 0.000 5.000 hf3 1 352.000 2.490 1.730 0.000 5.000 hf4 1 352.000 2.490 1.730 0.000 5.000 hf5 1 352.000 2.490 1.730 0.000 5.000 hf6 1 352.000 2.490 1.730 0.000 5.000 hf7 1 352.000 2.490 1.730 0.000 5.000 hf8 1 352.000 2.490 1.730 0.000 5.000 hcno 2 232.400 3.828 0.000 0.000 1.000 ! JAM hocn 2 232.400 3.828 0.000 0.000 1.000 ! JAM hnco 2 232.400 3.828 0.000 0.000 1.000 ! OIS hnno 2 232.400 3.828 0.000 0.000 1.000 ! * hno 2 116.700 3.492 0.000 0.000 1.000 ! * hnoh 2 116.700 3.492 0.000 0.000 1.000 ! JAM ho2 2 107.400 3.458 0.000 0.000 1.000 ! * hso2 2 252.000 4.290 0.000 0.000 1.000 ! OIS n 0 71.400 3.298 0.000 0.000 0.000 ! * n2 1 97.530 3.621 0.000 1.760 4.000 n2h2 2 71.400 3.798 0.000 0.000 1.000 ! * n2h3 2 200.000 3.900 0.000 0.000 1.000 ! * n2h4 2 205.000 4.230 0.000 4.260 1.500 n2o 1 232.400 3.828 0.000 0.000 1.000 ! * ncn 1 232.400 3.828 0.000 0.000 1.000 ! OIS nco 1 232.400 3.828 0.000 0.000 1.000 ! OIS nh 1 80.000 2.650 0.000 0.000 4.000 nh2 2 80.000 2.650 0.000 2.260 4.000 nh3 2 481.000 2.920 1.470 0.000 10.000 nnh 2 71.400 3.798 0.000 0.000 1.000 ! * no 1 97.530 3.621 0.000 1.760 4.000 ncno 2 232.400 3.828 0.000 0.000 1.000 ! OIS no2 2 200.000 3.500 0.000 0.000 1.000 ! * o 0 80.000 2.750 0.000 0.000 0.000 o2 1 107.400 3.458 0.000 1.600 3.800 o3 2 180.000 4.100 0.000 0.000 2.000 oh 1 80.000 2.750 0.000 0.000 0.000 s 0 847.000 3.839 0.000 0.000 0.000 ! OIS s2 1 847.000 3.900 0.000 0.000 1.000 ! OIS sh 1 847.000 3.900 0.000 0.000 1.000 ! OIS so 1 301.000 3.993 0.000 0.000 1.000 ! OIS so2 2 252.000 4.290 0.000 0.000 1.000 ! OIS so3 2 378.400 4.175 0.000 0.000 1.000 ! OIS sih4 2 207.6 4.084 0.000 0.000 1.000 ! MEC sih3 2 170.3 3.943 0.000 0.000 1.000 ! MEC sih2 2 133.1 3.803 0.000 0.000 1.000 ! MEC sih 1 95.8 3.662 0.000 0.000 1.000 ! MEC si 0 3036. 2.910 0.000 0.000 0.000 ! MEC si2h6 2 301.3 4.828 0.000 0.000 1.000 ! MEC si2h5 2 306.9 4.717 0.000 0.000 1.000 ! MEC si2h4 2 312.6 4.601 0.000 0.000 1.000 ! MEC si2h3 2 318.2 4.494 0.000 0.000 1.000 ! MEC si2h2 2 323.8 4.383 0.000 0.000 1.000 ! MEC si2 1 3036. 3.280 0.000 0.000 1.000 ! MEC si3 2 3036. 3.550 0.000 0.000 1.000 ! MEC sif3 2 309.6 4.359 0.000 0.000 1.000 ! MEC sif3nh2 2 231.0 4.975 0.000 0.000 1.000 ! MEC sif4 2 171.9 4.880 0.000 0.000 1.000 ! SVE sihf3 2 180.8 4.681 0.000 0.000 1.000 ! MEC h2sisih2 2 312.6 4.601 0.000 0.000 1.000 ! MEC h3sisih 2 312.6 4.601 0.000 0.000 1.000 ! MEC si3h8 2 331.2 5.562 0.000 0.000 1.000 ! MEC ash3 2 259.8 4.145 0.000 0.000 1.000 ! MEC as2 1 1045.5 5.510 0.000 0.000 1.000 ! MEC game3 2 378.2 5.52 0.000 0.000 1.000 ! MEC game2 2 675.8 5.22 0.000 0.000 1.000 ! MEC game 2 972.7 4.92 0.000 0.000 1.000 ! MEC ga 0 2961.8 4.62 0.000 0.000 0.000 ! MEC k 0 850. 4.25 0.000 0.000 1.000 ! SINGH koh 2 1213. 4.52 0.000 0.000 1.000 ! SINGH ko2 2 1213. 4.69 0.000 0.000 1.000 ! SINGH kh 1 93.3 3.542 0.000 0.000 1.000 ! SINGH k+ 0 850. 4.25 0.000 0.000 1.000 ! SINGH e 0 850. 425. 0.000 0.000 1.000 ! SINGH kcl 1 1989. 4.186 0.000 0.000 1.000 ! SINGH cl 0 130.8 3.613 0.000 0.000 1.000 ! SINGH cl- 0 130.8 3.613 0.000 0.000 1.000 ! SINGH hcl 1 344.7 3.339 1.084 0.000 1.000 ! SINGH ko 1 383.0 3.812 0.000 0.000 1.000 ! SINGH nc10h22 2 540.0 7.085 0.0 0.0 1.0 ! TCPC nc10h22o 2 600.6 7.229 1.8 0.0 1.0 ! TCPC 335c10h22 2 522.0 6.873 0.0 0.0 1.0 ! WJP 2255c10h22 2 497.3 6.899 0.0 0.0 1.0 ! WJP ic8h18 2 458.5 6.414 0.0 0.0 1.0 ! WJP ac8h17 2 458.5 6.414 0.0 0.0 1.0 ! WJP bc8h17 2 458.5 6.414 0.0 0.0 1.0 ! WJP cc8h17 2 458.5 6.414 0.0 0.0 1.0 ! WJP dc8h17 2 458.5 6.414 0.0 0.0 1.0 ! WJP 1c8h17oh 2 581.3 6.506 2.0 0.0 1.0 ! TCPC ac8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP bc8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP cc8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP dc8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP 1c8h16 2 485.6 6.440 0.3 0.0 1.0 ! WJP ic8h16 2 485.6 6.440 0.3 0.0 1.0 ! WJP jc8h16 2 485.6 6.440 0.3 0.0 1.0 ! WJP ic8h15 2 485.6 6.440 0.3 0.0 1.0 ! WJP ic8h14 2 485.6 6.440 0.3 0.0 1.0 ! WJP nc7h16 2 459.6 6.253 0.0 0.0 1.0 ! TCPC c7h15-1 2 459.6 6.253 0.0 0.0 1.0 ! WJP c7h15-2 2 459.6 6.253 0.0 0.0 1.0 ! WJP c7h15-3 2 459.6 6.253 0.0 0.0 1.0 ! WJP c7h15-4 2 459.6 6.253 0.0 0.0 1.0 ! WJP neoc7h16 2 437.3 6.168 0.0 0.0 1.0 ! WJP c7h162-4 2 437.3 6.168 0.0 0.0 1.0 ! WJP 2-4c7h16 2 437.3 6.168 0.0 0.0 1.0 ! WJP qc7h15 2 437.3 6.168 0.0 0.0 1.0 ! WJP pc7h15 2 437.3 6.168 0.0 0.0 1.0 ! WJP oc7h15 2 437.3 6.168 0.0 0.0 1.0 ! WJP nc7h15 2 437.3 6.168 0.0 0.0 1.0 ! WJP xc7h15 2 437.3 6.168 0.0 0.0 1.0 ! WJP yc7h15 2 437.3 6.168 0.0 0.0 1.0 ! WJP zc7h15 2 437.3 6.168 0.0 0.0 1.0 ! WJP c7h14oh-1 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH MM c7h14oh-2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH MM c7h14oh-3 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH MM 1c7h15oh 2 561.0 6.317 1.7 0.0 1.0 ! WJP: 1c7h15oh, TCPC c7h15o-1 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o-2 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o-3 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o-4 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2-1 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2-2 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2-3 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2-4 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2h-1 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2h-2 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2h-3 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h15o2h-4 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh1-2 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh1-3 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh1-4 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh1-5 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh2-1 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh2-3 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh2-4 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh2-5 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh2-6 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh3-1 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh3-2 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh3-4 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh3-5 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh3-6 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh3-7 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh4-1 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh4-2 2 561.0 6.317 1.7 0.0 1.0 ! WJP c7h14ooh4-3 2 561.0 6.317 1.7 0.0 1.0 ! WJP o2c7h14oh-1 2 677.149 6.436 0.000 0.000 0.000 ! C6H12OOH3-6O2 MM o2c7h14oh-2 2 677.149 6.436 0.000 0.000 0.000 ! C6H12OOH3-6O2 MM o2c7h14oh-3 2 677.149 6.436 0.000 0.000 0.000 ! C6H12OOH3-6O2 MM c7h14ooh1-2o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh1-3o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh1-4o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh1-5o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh2-1o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh2-3o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh2-4o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh2-5o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh2-6o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh3-1o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh3-2o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh3-4o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh3-5o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh3-6o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh3-7o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh4-1o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh4-2o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14ooh4-3o2 2 600.6 7.229 1.8 0.0 1.0 ! NC10H22O WJP c7h14o1-2 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o1-3 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o1-4 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o1-5 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o2-3 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o2-4 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o2-5 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o2-6 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o3-4 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP c7h14o3-5 2 511.5 6.297 0.0 0.0 1.0 ! C8H16-1-5 WJP nc7ket12 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket13 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket14 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket15 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket21 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket23 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket24 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket25 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket26 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket31 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket32 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket34 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket35 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket36 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket37 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket41 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket42 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP nc7ket43 2 581.3 6.506 2.0 0.0 1.0 ! 1C8H17OH WJP c7h13o1-3 2 561.0 6.317 1.7 0.0 1.0 ! C7H15O-1 MM c7h13o2-4 2 561.0 6.317 1.7 0.0 1.0 ! C7H15O-1 MM c7h13o3-5 2 561.0 6.317 1.7 0.0 1.0 ! C7H15O-1 MM qc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP pc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP oc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP nc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP xc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP yc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP zc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP 1c7h14 2 457.8 6.173 0.3 0.0 1.0 ! WJP, 1c7h14, TCPC c7h14-1 2 457.8 6.173 0.3 0.0 1.0 ! TCPC c7h14-2 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h14-3 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h13 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h131-3 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h131-4 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h131-5 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h131-6 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h131-7 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h132-4 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h132-5 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h132-6 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h132-7 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h133-1 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h133-5 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h133-6 2 457.8 6.173 0.3 0.0 1.0 ! WJP c7h133-7 2 457.8 6.173 0.3 0.0 1.0 ! WJP ibc7h14 2 439.2 6.151 0.0 0.0 1.0 ! TCPC o-c7h14 2 439.2 6.151 0.0 0.0 1.0 ! WJP c7h14-1 2 457.8 6.173 0.3 0.0 1.0 ! WJP ibc7h14 2 439.2 6.151 0.0 0.0 1.0 ! WJP oc7h14 2 439.2 6.151 0.0 0.0 1.0 ! WJP pc7h14 2 439.2 6.151 0.0 0.0 1.0 ! WJP xc7h14 2 439.2 6.151 0.0 0.0 1.0 ! WJP 3-c6h14 2 422.5 5.870 0.0 0.0 1.0 ! WJP yc7h14 2 439.2 6.151 0.0 0.0 1.0 ! WJP pc7h13 2 439.2 6.151 0.0 0.0 1.0 ! WJP xc7h13 2 439.2 6.151 0.0 0.0 1.0 ! WJP nc6h14 2 427.4 5.946 0.0 0.0 1.0 ! WJP neoc6h14 2 406.1 5.842 0.0 0.0 1.0 ! WJP xc6h14 2 416.7 5.852 0.0 0.0 1.0 ! WJP 3-c6h14 2 422.5 5.870 0.0 0.0 1.0 ! WJP ic6h14 2 422.5 5.870 0.0 0.0 1.0 ! WJP c2h5coc3h7-n 2 498.6 6.009 2.0 0.0 1.0 ! TCPC fc6h13 2 406.1 5.842 0.0 0.0 1.0 ! WJP gc6h13 2 406.1 5.842 0.0 0.0 1.0 ! WJP hc6h13 2 406.1 5.842 0.0 0.0 1.0 ! WJP ac6h13 2 422.5 5.870 0.0 0.0 1.0 ! WJP bc6h13 2 422.5 5.870 0.0 0.0 1.0 ! WJP cc6h13 2 422.5 5.870 0.0 0.0 1.0 ! WJP c-c6h13 2 422.5 5.870 0.0 0.0 1.0 ! WJP dc6h13 2 422.5 5.870 0.0 0.0 1.0 ! WJP ec6h13 2 422.5 5.870 0.0 0.0 1.0 ! WJP 1c6h13oh 2 541.5 5.674 1.8 0.0 1.0 ! TCPC c6h12oh-1 2 541.5 5.674 1.8 0.0 1.0 ! C6H13OH MM c6h12oh-2 2 541.5 5.674 1.8 0.0 1.0 ! C6H13OH MM c6h12oh-3 2 541.5 5.674 1.8 0.0 1.0 ! C6H13OH MM fc6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP gc6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP hc6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP ac6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP bc6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP c-c6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP dc6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP ec6h13o 2 541.5 5.674 1.8 0.0 1.0 ! WJP neoc6h12 2 397.9 5.767 0.0 0.0 1.0 ! WJP, 3,3-dimethyl-1-butene, , TcPc, Poling 4th Ed. ac6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-a 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-b 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-c 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-d 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-e 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-a 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-c 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-d 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-e 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-a 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-b 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-d 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-e 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-a 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-b 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-c 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-e 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-a 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-b 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-c 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-d 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH a-ac6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH a-bc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH a-cc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH a-dc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH a-ec6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH b-cc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH b-dc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH b-ec6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH c-dc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH c-ec6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH d-ec6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-ao2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-bo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-co2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-do2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-eo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-ao2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-co2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-do2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH bc6h12ooh-eo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-ao2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-bo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-do2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH cc6h12ooh-eo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-ao2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-bo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-co2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH dc6h12ooh-eo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-ao2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-bo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-co2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-do2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ac6h12ooh-eo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-ao2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-bo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-co2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ec6h12ooh-do2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketaa 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketab 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketac 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketad 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketae 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketca 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketcb 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketcd 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketce 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketda 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketdb 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketdc 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketde 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketea 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6keteb 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6ketec 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH ic6keted 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH nc4h9cho-2 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO nc4h9co-2 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h8cho1-2 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h8cho2-2 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h8cho3-2 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h8cho4-2 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO ic4h9cho 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO ic4h9co 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO ic3h6ch2cho 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO tc3h6ch2cho 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO ic3h7chcho 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO ic5h11cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ic5h11co 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ac5h10cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP bc5h10cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP cc5h10cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP dc5h10cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP c4h7cho1-4 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h7co1-4 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h6cho1-43 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h6cho1-44 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h7cho2-1 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h7co2-1 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO c4h6cho2-11 2 476.0 5.778 2.6 0.0 1.0 ! WJP, NC4H9CHO nc5h11cho-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc5h11co-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP c5h10cho1-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP c5h10cho2-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP c5h10cho3-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP c5h10cho4-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP c5h10cho5-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc4h9coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, nc4h9coch3, TCPC, POLING, 5TH EDITION, METHYL BUTYL KETONE ic4h9coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 ic4h9coch2 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 ic3h6ch2coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 ic3h7chcoch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 tc3h6ch2coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 fc6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH gc6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH hc6h13o2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH fc6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH gc6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH hc6h13o2h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH fc6h12ooh-f 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH fc6h12ooh-g 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH fc6h12ooh-h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH gc6h12ooh-f 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH gc6h12ooh-h 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH hc6h12ooh-f 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH hc6h12ooh-g 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH fc6h12ooh-fo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH fc6h12ooh-go2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH fc6h12ooh-ho2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH gc6h12ooh-fo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH gc6h12ooh-ho2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH hc6h12ooh-fo2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH hc6h12ooh-go2 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH f-fc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH f-gc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH f-hc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH g-hc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH g-hc6h12o 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH neoc6ketff 2 397.9 5.767 0.0 0.0 1.0 ! WJP, NEOC6H12 neoc6ketfg 2 397.9 5.767 0.0 0.0 1.0 ! WJP, NEOC6H12 neoc6ketfh 2 397.9 5.767 0.0 0.0 1.0 ! WJP, NEOC6H12 neoc6ketgf 2 397.9 5.767 0.0 0.0 1.0 ! WJP, NEOC6H12 neoc6ketgh 2 397.9 5.767 0.0 0.0 1.0 ! WJP, NEOC6H12 neoc6kethf 2 397.9 5.767 0.0 0.0 1.0 ! WJP, NEOC6H12 neoc6kethg 2 397.9 5.767 0.0 0.0 1.0 ! WJP, NEOC6H12 tc4h9cho 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO tc4h9co 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO neoc5h11cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP neoc5h11co 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP tc4h9chcho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP tc4h8ch2cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ic4h7cho 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO ic4h7co 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO ac3h4ch2cho 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO ic3h5chcho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ic5h11cho-b 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ic5h11co-b 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ic5h10cho-ba 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ic5h10cho-bc 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP ic5h10cho-bd 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP c4h7cho1-2 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO c4h7co1-2 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO c4h6cho1-23 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO c4h6cho1-24 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO c4h7cho2-2 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO c4h7co2-2 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO c4h6cho2-21 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO c4h6cho2-24 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO ch2cchch3 2 357.0 4.720 0.0 0.0 1.0 ! C4H6 tc4h9coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 tc4h9coch2 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 tc4h8coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 ch2ccho 2 428.8 4.958 2.9 0.0 1.0 ! C2H3CHO xc7h15o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h15o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 zc7h15o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h15o2h 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h15o2h 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 zc7h15o2h 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 zc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-x1 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-y1 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-z 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-y2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-x2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-x1 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-z 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-y2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-x2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 zc7h14ooh-x 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 zc7h14ooh-y 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-x1o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-y1o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-zo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-y2o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 xc7h14ooh-x2o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-x1o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-zo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-y2o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 yc7h14ooh-x2o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 zc7h14ooh-xo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 zc7h14ooh-yo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 x-x1c7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 x-x2c7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 x-y1c7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 x-y2c7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 x-zc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 y-yc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 y-zc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 y-zc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 c7ket24xx1 2 435.9 5.807 0.0 0.0 1.0 ! WJP c7ket24xy1 2 435.9 5.807 0.0 0.0 1.0 ! WJP c7ket24xz 2 435.9 5.807 0.0 0.0 1.0 ! WJP c7ket24xy2 2 435.9 5.807 0.0 0.0 1.0 ! WJP c7ket24xx2 2 435.9 5.807 0.0 0.0 1.0 ! WJP c7ket24zx 2 435.9 5.807 0.0 0.0 1.0 ! WJP c7ket24zy 2 435.9 5.807 0.0 0.0 1.0 ! WJP nc7h15o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h15o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h15o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h15o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h15o2h 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h15o2h 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h15o2h 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h15o2h 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h15o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-n2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-q 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h14ooh-n 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-p 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h14ooh-o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h14ooh-p 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h14ooh-n 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h14ooh-q 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h14ooh-n 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h14ooh-q 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h14ooh-p 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h14ooh-o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-n2o2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-qo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h14ooh-no2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-oo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 nc7h14ooh-po2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h14ooh-oo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 qc7h14ooh-po2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h14ooh-no2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h14ooh-qo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h14ooh-no2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h14ooh-qo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 oc7h14ooh-po2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 pc7h14ooh-oo2 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 n-nc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 n-oc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 n-pc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 n-qc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 o-pc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 o-qc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 p-qc7h14o 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketnn 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketno 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketnp 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketnq 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7keton 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketop 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketoq 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketpn 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketpo 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketpq 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketqn 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketqo 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 neoc7ketqp 2 561.0 6.317 1.7 0.0 1.0 ! WJP, C7H15OH-1 ac8h17o2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h17o2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h17o2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h17o2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h17o2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h17o2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h17o2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h17o2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h17o 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-a 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-c 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16ooh-a 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16ooh-c 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16ooh-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16ooh-a 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16ooh-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16ooh-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-a 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-c 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-ao2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-bo2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-co2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac8h16ooh-do2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16ooh-ao2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16ooh-co2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16ooh-do2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16ooh-ao2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16ooh-bo2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16ooh-do2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-ao2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-bo2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-co2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16ooh-do2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8eteraa 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8eterab 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8eterac 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8eterad 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8eterbc 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8eterbd 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8etercd 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8eterdd 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketaa 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketab 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketac 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketad 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketba 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketbc 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketbd 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketda 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketdb 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketdc 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic8ketdd 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic6h13cho-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic6h13co-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac6h12cho-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc6h12cho-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc6h12cho-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ec6h12cho-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic6h13cho-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic6h13co-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ac6h12cho-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc6h12cho-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc6h12cho-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc6h12cho-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ec6h12cho-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 ic3h7coc3h7-i 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP ic3h7coc3h6-i 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP ic3h7coc3h6-t 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP tc4h9coc2h5 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP tc4h8coc2h5 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP tc4h9coc2h4s 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP tc4h9coc2h4p 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP neoc5h11coch3 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP neoc5h10coch3 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP tc4h9chcoch3 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP neoc5h11coch2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP neoc6h13cho 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP neoc6h13co 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP fc6h12cho 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP gc6h12cho 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP hc6h12cho 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP neoc6h13co 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP ic4h7coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 ic4h7coch2 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 ic3h5chcoch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 ac3h4ch2coch3 2 503.7 6.020 2.0 0.0 1.0 ! WJP, NC4H9COCH3 xc7h13ooh-x1 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP xc7h13o-x1 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h13ooh-x1 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h13o-x1 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP oc7h13ooh-n 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP oc7h13o-n 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP xc7h13ooh-z 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP xc7h13o-z 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h13ooh-o 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h13o-o 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP oc7h13ooh-q 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP oc7h13o-q 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h13ooh-x2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h13o-x2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP ac3h5ooh 2 481.5 4.997 1.7 0.0 1.0 ! WJP NC3H7OH neoc6h11-h 2 397.9 5.767 0.0 0.0 1.0 ! WJP NEOC6H12 cc6h11-c 2 430.1 5.833 0.0 0.0 1.0 ! wjp bc6h12 dc6h11-d 2 430.1 5.833 0.0 0.0 1.0 ! wjp bc6h12 cc6h11o-b 2 541.5 5.674 1.8 0.0 1.0 ! WJP, 1C6H13OH xc7h14oh-y 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h14oh-x 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP zc7h14oh-y 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h14oh-z 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP ic4h7oh-i1 2 502.2 5.356 1.8 0.0 1.0 ! WJP NC4H9OH oc7h14oh-p 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h14oh-o 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP qc7h14oh-p 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h14oh-q 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP xc7h14oh-yo2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP xc7h14o-yo2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h14oh-xo2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h14o-xo2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP zc7h14oh-yo2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP zc7h14o-yo2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h14oh-zo2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP yc7h14o-zo2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP oc7h14oh-po2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP oc7h14o-po2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h14oh-oo2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h14o-oo2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP qc7h14oh-po2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP qc7h14o-po2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h14oh-qo2 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP pc7h14o-qo2h 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP cc8h16oh-b 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16oh-c 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16oh-d 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16oh-c 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16oh-bo2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16o-bo2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16oh-co2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 bc8h16o-co2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16oh-do2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 cc8h16o-do2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16oh-co2 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 dc8h16o-co2h 2 581.3 6.506 2.0 0.0 1.0 ! WJP, C8H17OH-1 kc6h12 2 435.9 5.807 0.0 0.0 1.0 ! WJP jc6h12 2 415.3 5.794 0.0 0.0 1.0 ! WJP c-c6h12 2 414.4 5.872 0.0 0.0 1.0 ! WJP c-c6h12-c 2 411.9 5.860 0.0 0.0 1.0 ! WJP h-c6h12 2 430.6 5.843 0.0 0.0 1.0 ! WJP h-c6h12-c 2 433.6 5.825 0.0 0.0 1.0 ! WJP bc6h12 2 430.1 5.833 0.0 0.0 1.0 ! WJP, 2-methyl-2-pentene, TcPc, Poling 4th Ed. 3c6h12 2 431.5 5.859 0.0 0.0 1.0 ! WJP 3c6h12-c 2 428.9 5.830 0.3 0.0 1.0 ! WJP 2c6h12 2 429.6 5.829 0.0 0.0 1.0 ! WJP 2c6h12-c 2 432.4 5.827 0.0 0.0 1.0 ! WJP 1c6h12 2 423.2 5.834 0.4 0.0 1.0 ! WJP ac6h12 2 430.1 5.833 0.0 0.0 1.0 ! WJP dc6h12 2 414.4 5.872 0.0 0.0 1.0 ! WJP neoc6h11 2 397.9 5.767 0.0 0.0 1.0 ! WJP o2c6h12oh-1 2 561.0 6.317 1.7 0.0 1.0 ! C7H15O2-3 MM o2c6h12oh-2 2 561.0 6.317 1.7 0.0 1.0 ! C7H15O2-3 MM o2c6h12oh-3 2 561.0 6.317 1.7 0.0 1.0 ! C7H15O2-3 MM c6h11ooh1-4 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP c6h11ooh1-5 2 561.0 6.317 1.7 0.0 1.0 ! 1C7H15OH WJP c6h11o1-4 2 541.5 5.674 1.8 0.0 1.0 ! 1C6H13OH WJP c6h11o1-3 2 541.5 5.674 1.8 0.0 1.0 ! 1C6H13OH WJP c6h11o2-4 2 541.5 5.674 1.8 0.0 1.0 ! 1C6H13OH WJP c6h11o1-5 2 541.5 5.674 1.8 0.0 1.0 ! 1C6H13OH WJP ic6h12 2 430.1 5.833 0.0 0.0 1.0 ! WJP, 3-methyl-t-pentene nc3h7cooc2h5 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket12 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket13 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket14 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket15 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket21 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket23 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket24 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket25 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket31 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc5ket32 2 494.8 6.174 1.8 0.0 1.0 ! TCPC nc3h7cooc3h7-n 2 467.0 6.548 1.8 0.0 1.0 ! TCPC nc6ket12 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket13 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket14 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket15 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket21 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket23 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket24 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket25 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket26 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket31 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket32 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket34 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket35 2 467.0 6.548 1.8 0.0 1.0 ! WJP nc6ket36 2 467.0 6.548 1.8 0.0 1.0 ! WJP neo-c5h12 2 357.8 5.550 0.0 0.0 1.0 ! WJP nc5h12 2 391.7 5.591 0.0 0.0 1.0 ! WJP ic5h12 2 382.1 5.548 0.0 0.0 1.0 ! WJP neo-c5h12 2 357.8 5.550 0.0 0.0 1.0 ! WJP nc5h11cho 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc5h11co 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc5h10cho-1 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc5h10cho-2 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc5h10cho-3 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc5h10cho-4 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP nc5h10cho-5 2 498.6 6.009 2.0 0.0 1.0 ! C2H5COC3H7-N WJP 1c5h11oh 2 523.2 5.664 1.7 0.0 1.0 ! TCPC ic5h11oh-1 2 451.9 6.041 0.0 0.0 1.0 ! WJP ic5h11oh-2 2 431.4 5.624 1.9 0.0 1.0 ! WJP 1c5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP 2c5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP 3c5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP ac5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP bc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP cc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP dc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o2-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o2-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o2-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o2h-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o2h-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11o2h-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh1-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh1-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh1-4 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-4 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-5 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh3-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh3-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP o2c5h10oh-1 2 588.653 5.943 0.000 0.000 0.000 !C6H13O2-3 MM o2c5h10oh-2 2 588.653 5.943 0.000 0.000 0.000 !C6H13O2-3 MM c5h10ooh1-2o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh1-3o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh1-4o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh1-5o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-1o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-3o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-4o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh2-5o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh3-1o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10ooh3-2o2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10oh-1 2 523.2 5.664 1.7 0.0 1.0 ! C5H11O MM c5h10oh-2 2 523.2 5.664 1.7 0.0 1.0 ! C5H11O MM c5h10o1-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10o1-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10o1-4 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10o1-5 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10o2-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h10o2-4 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h9ooh-14 2 541.5 5.674 1.8 0.0 1.0 ! 1C6H13OH WJP c5h9ooh-15 2 541.5 5.674 1.8 0.0 1.0 ! 1C6H13OH WJP c5h9o-14 2 523.2 5.664 1.7 0.0 1.0 ! 1C5H11OH WJP c5h9o-15 2 523.2 5.664 1.7 0.0 1.0 ! 1C5H11OH WJP c5h9o1-3 2 523.2 5.664 1.7 0.0 1.0 ! 1C5H11OH WJP c5h9o2-4 2 523.2 5.664 1.7 0.0 1.0 ! 1C5H11OH WJP neo-c5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP c2h5coc2h5 2 476.7 5.714 2.7 0.0 1.0 ! TCPC c2h5coc2h3 2 476.7 5.714 2.7 0.0 1.0 ! WJP pc2h4coc2h3 2 476.7 5.714 2.7 0.0 1.0 ! WJP sc2h4coc2h3 2 476.7 5.714 2.7 0.0 1.0 ! WJP ic3h7coch3 2 469.0 5.632 2.8 0.0 1.0 ! WJP nc3h7coch3 2 477.0 5.735 2.5 0.0 1.0 ! WJP nc4h9cho 2 476.0 5.778 2.6 0.0 1.0 ! wjp: pentanal, TcPc, Poling 4th Edition neoc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH neoc5h11o2 2 357.8 5.550 0.0 0.0 1.0 ! WJP, NEO-PENTANE (NEOC5H12) neoc5h11o2h 2 357.8 5.550 0.0 0.0 1.0 ! WJP, NEO-PENTANE (NEOC5H12) neoc5h10ooh 2 357.8 5.550 0.0 0.0 1.0 ! WJP, NEO-PENTANE (NEOC5H12) neoc5h10ooh-o2 2 357.8 5.550 0.0 0.0 1.0 ! WJP, NEO-PENTANE (NEOC5H12) nc4h9co 2 476.0 5.778 2.6 0.0 1.0 ! WJP c4h8cho-1 2 476.0 5.778 2.6 0.0 1.0 ! WJP c4h8cho-2 2 476.0 5.778 2.6 0.0 1.0 ! WJP c4h8cho-3 2 476.0 5.778 2.6 0.0 1.0 ! WJP c4h8cho-4 2 476.0 5.778 2.6 0.0 1.0 ! WJP nc4ket12 2 476.0 5.778 2.6 0.0 1.0 ! WJP nc4ket13 2 476.0 5.778 2.6 0.0 1.0 ! WJP nc4ket14 2 476.0 5.778 2.6 0.0 1.0 ! WJP nc4ket21 2 476.0 5.778 2.6 0.0 1.0 ! WJP nc4ket23 2 476.0 5.778 2.6 0.0 1.0 ! WJP nc4ket24 2 476.0 5.778 2.6 0.0 1.0 ! WJP neoc5h11 2 357.8 5.550 0.0 0.0 1.0 ! WJP, NEOC5H12 ac5h11 2 523.2 5.664 1.7 0.0 1.0 ! WJP bc5h11 2 523.2 5.664 1.7 0.0 1.0 ! WJP cc5h11 2 523.2 5.664 1.7 0.0 1.0 ! WJP dc5h11 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP c5h11oh-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP, TCPC, 1-PENTANOL ic5h11oh-1 2 451.9 6.041 0.0 0.0 1.0 ! WJP ic5h11oh-2 2 431.4 5.624 1.9 0.0 1.0 ! WJP c5h11o-1 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH c5h11o-2 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH c5h11o-3 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH ac5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH bc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH cc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH dc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH neoc5h11o 2 523.2 5.664 1.7 0.0 1.0 ! WJP, 1C5H11OH c2h5coc2h5 2 476.7 5.714 2.7 0.0 1.0 ! WJP ic3h7coch3 2 469.0 5.632 2.8 0.0 1.0 ! WJP nc3h7coch3 2 477.0 5.735 2.5 0.0 1.0 ! WJP c-c5h10 2 372.1 5.446 0.0 0.0 1.0 ! WJP, TCPC, 3-METHYL-1-BUTENE cc5h10 2 372.1 5.446 0.0 0.0 1.0 ! WJP, TCPC, 3-METHYL-1-BUTENE bc5h10 2 391.4 5.550 0.0 0.0 1.0 ! WJP ac5h10 2 386.6 5.532 0.5 0.0 1.0 ! WJP 2c5h10 2 396.8 5.458 0.0 0.0 1.0 ! WJP c5h10-2 2 396.8 5.458 0.0 0.0 1.0 ! WJP 1c5h10 2 386.2 5.489 0.4 0.0 1.0 ! WJP c5h10-1 2 386.2 5.489 0.4 0.0 1.0 ! WJP, 1c5h10, TcPc c5h9 2 396.8 5.458 0.0 0.0 1.0 ! WJP c5h91-1 2 396.8 5.458 0.0 0.0 1.0 ! WJP c5h91-3 2 396.8 5.458 0.0 0.0 1.0 ! WJP c5h91-4 2 396.8 5.458 0.0 0.0 1.0 ! WJP c5h91-5 2 396.8 5.458 0.0 0.0 1.0 ! WJP c5h92-4 2 396.8 5.458 0.0 0.0 1.0 ! WJP c5h92-5 2 396.8 5.458 0.0 0.0 1.0 ! WJP ic5h9 2 386.6 5.532 0.5 0.0 1.0 ! WJP nc4h10 2 350.9 5.206 0.0 0.0 1.0 ! WJP c4h10 2 350.9 5.206 0.0 0.0 1.0 ! WJP ic4h10 2 335.7 5.208 0.1 0.0 1.0 ! WJP nc4h9oh 2 502.2 5.356 1.8 0.0 1.0 ! WJP TCPC, N-BUTANOL ic4h7oh 2 502.2 5.356 1.8 0.0 1.0 ! WJP ic4h6oh 2 502.2 5.356 1.8 0.0 1.0 ! WJP c4h7cho1-4 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO WJP c4h7cho1-1 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO WJP c4h7co1-1 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO WJP c4h7co1-4 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO WJP c4h7cho1-43 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO WJP c4h7cho1-44 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO WJP c4h7ooh1-4 2 523.2 5.664 1.7 0.0 1.0 ! 1C5H11OH WJP c4h7o1-4 2 476.0 5.778 2.6 0.0 1.0 ! NC4H9CHO WJP ic3h7cho 2 436.4 5.352 0.0 0.0 1.0 ! TCPC tc3h6o2cho 2 436.4 5.352 0.0 0.0 1.0 ! WJP tc3h6o2hco 2 436.4 5.352 0.0 0.0 1.0 ! WJP tc3h6ohcho 2 436.4 5.352 0.0 0.0 1.0 ! WJP ic3h5o2hcho 2 436.4 5.352 0.0 0.0 1.0 ! WJP nc3h7cho 2 464.2 5.009 2.6 0.0 1.0 ! WJP: butanal, TCPC ac3h5cho 2 464.2 5.009 2.6 0.0 1.0 ! WJP ac3h5co 2 464.2 5.009 2.6 0.0 1.0 ! WJP c2h3chcho 2 464.2 5.009 2.6 0.0 1.0 ! WJP c2h5chcho 2 464.2 5.009 2.6 0.0 1.0 ! WJP c3h6cho-1 2 464.2 5.009 2.6 0.0 1.0 ! WJP c3h6cho-2 2 464.2 5.009 2.6 0.0 1.0 ! WJP c3h6cho-3 2 464.2 5.009 2.6 0.0 1.0 ! WJP sc3h5cho 2 464.2 5.009 2.6 0.0 1.0 ! TCPC sc3h5co 2 464.2 5.009 2.6 0.0 1.0 ! TCPC c2h5ocho 2 427.0 5.117 2.0 0.0 1.0 ! TCPC ch3chocho 2 427.0 5.117 2.0 0.0 1.0 ! TCPC c2h5coch3 2 454.0 5.413 3.3 0.0 1.0 ! wjp: methyl ethyl ketone, TcPc, Poling 4th Edition c2h5coch2 2 454.0 5.413 3.3 0.0 1.0 ! WJP c2h3coch3 2 454.0 5.413 3.3 0.0 1.0 ! WJP c3ket12 2 464.2 5.009 2.6 0.0 1.0 ! WJP c3ket13 2 464.2 5.009 2.6 0.0 1.0 ! WJP c3ket21 2 464.2 5.009 2.6 0.0 1.0 ! WJP ic3h7co 2 436.4 5.352 0.0 0.0 1.0 ! WJP nc3h7co 2 464.2 5.009 2.6 0.0 1.0 ! WJP ic3h6cho 2 436.4 5.352 0.0 0.0 1.0 ! WJP tc3h6cho 2 436.4 5.352 0.0 0.0 1.0 ! WJP tc3h6ocho 2 436.4 5.352 0.0 0.0 1.0 ! WJP ic3h6co 2 436.4 5.352 0.0 0.0 1.0 ! WJP ic3h5cho 2 436.4 5.352 0.0 0.0 1.0 ! WJP ic3h5co 2 436.4 5.352 0.0 0.0 1.0 ! WJP !ic4h8 2 344.5 5.089 0.5 0.0 1.0 ! WJP 2-c4h8 2 354.1 5.135 0.0 0.0 1.0 ! WJP 2-c4h8-s 2 359.7 5.076 0.3 0.0 1.0 ! WJP 1-c4h8 2 345.7 5.088 0.3 0.0 1.0 ! WJP 1,3-c4h6 2 350.4 4.984 0.0 0.0 1.0 ! WJP: 1,3 butadiene, TcPc, Poling 4th Ed. 1,2-c4h6 2 370.3 4.984 0.4 0.0 1.0 ! WJP: 1,2 butadiene, TcPc, Poling 4th Ed. c3h6o 2 403.6 4.968 2.0 0.0 1.0 ! WJP c3h6o1-3 2 403.6 4.968 2.0 0.0 1.0 ! WJP c3h6o1-2 2 403.6 4.968 2.0 0.0 1.0 ! WJP c2h5cho 2 435.2 4.662 2.7 0.0 1.0 ! WJP, propanal c3h6ooh2-2 2 435.2 4.662 2.7 0.0 1.0 ! WJP c3h6ooh1-2 2 435.2 4.662 2.7 0.0 1.0 ! WJP c3h6ooh1-3 2 435.2 4.662 2.7 0.0 1.0 ! WJP c3h6ooh2-1 2 435.2 4.662 2.7 0.0 1.0 ! WJP c3h6ooh1-2o2 2 435.2 4.662 2.7 0.0 1.0 ! WJP c3h6ooh1-3o2 2 435.2 4.662 2.7 0.0 1.0 ! WJP c3h6ooh2-1o2 2 435.2 4.662 2.7 0.0 1.0 ! WJP nc3h7oh 2 481.5 4.997 1.7 0.0 1.0 ! WJP ic3h7oh 2 459.5 5.036 1.7 0.0 1.0 ! WJP ch3oc2h5 2 364.6 4.998 1.2 0.0 1.0 ! WJP ic3h5oh 2 459.5 5.036 1.7 0.0 1.0 ! WJP tc3h6oh 2 459.5 5.036 1.7 0.0 1.0 ! WJP nc3h7o 2 481.5 4.997 1.7 0.0 1.0 ! WJP nc3h7o2 2 481.5 4.997 1.7 0.0 1.0 ! WJP nc3h7o2h 2 481.5 4.997 1.7 0.0 1.0 ! WJP ic3h7o 2 459.5 5.036 1.7 0.0 1.0 ! WJP ic3h7o2 2 459.5 5.036 1.7 0.0 1.0 ! WJP ic3h7o2h 2 459.5 5.036 1.7 0.0 1.0 ! WJP c3h5oh 2 481.5 4.997 1.7 0.0 1.0 ! WJP c2h3cho 2 428.8 4.958 2.9 0.0 1.0 ! WJP: acrolein, TcPc, Poling 4th Edition ch2cch2oh 2 481.5 4.997 1.7 0.0 1.0 ! WJP a-ac5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER a-bc5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER ac3h4coc2h5 2 527.994 5.587 0.000 0.000 0.000 !FLAMEMASTER ac3h4coch3 2 482.331 5.306 0.000 0.000 0.000 !FLAMEMASTER ac3h5chcoch3 2 527.994 5.587 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-a 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-ao2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-b 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-bo2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-c 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-co2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-d 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER ac5h10ooh-do2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER ac5h11 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER ac5h11o2 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER ac5h11o2h 2 549.783 5.717 0.000 0.000 0.000 !FLAMEMASTER a-cc5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER a-dc5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER bc5h10ooh-a 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER bc5h10ooh-ao2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER bc5h10ooh-c 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER bc5h10ooh-co2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER bc5h10ooh-d 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER bc5h10ooh-do2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER bc5h11 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER bc5h11o2 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER bc5h11o2h 2 549.783 5.717 0.000 0.000 0.000 !FLAMEMASTER b-cc5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER b-dc5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER c2h5chco 2 436.950 5.016 0.000 0.000 0.000 !FLAMEMASTER c2h5coc2h4p 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER c2h5coc2h4s 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER c3h6coc2h5-1 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c3h6coc2h5-2 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c3h6coc2h5-3 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c3h6coch3-1 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER c3h6coch3-2 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER c3h6coch3-3 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER c4h6cho1-14 2 482.331 5.306 0.000 0.000 0.000 !FLAMEMASTER c4h6cho1-13 2 482.331 5.306 0.000 0.000 0.000 !FLAMEMASTER c4h6cho1-43 2 482.331 5.306 0.000 0.000 0.000 !FLAMEMASTER c4h6cho1-44 2 482.331 5.306 0.000 0.000 0.000 !FLAMEMASTER c4h8coch3-1 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c4h8coch3-2 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c4h8coch3-3 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c4h8coch3-4 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c5h10cho-1 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c5h10cho-2 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c5h10cho-3 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c5h10cho-4 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c5h10cho-5 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER c5h10ooh1-5 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER c5h11-1 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER c5h11-2 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER c5h11-3 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER c5h9o1-4 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER c5h9o1-5 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER c5h9ooh1-4 2 543.585 5.680 0.000 0.000 0.000 !FLAMEMASTER c5h9ooh1-5 2 543.585 5.680 0.000 0.000 0.000 !FLAMEMASTER c6h11 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h111-3 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h111-4 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h111-5 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h111-6 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h112-4 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h112-5 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h112-6 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h113-1 2 482.473 5.307 0.000 0.000 0.000 !FLAMEMASTER c6h12-1 2 485.857 5.328 0.000 0.000 0.000 !FLAMEMASTER c6h12-2 2 485.857 5.328 0.000 0.000 0.000 !FLAMEMASTER c6h12-3 2 485.857 5.328 0.000 0.000 0.000 !FLAMEMASTER c6h12o1-2 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12o1-3 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12o1-4 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12o1-5 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12o2-3 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12o2-4 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12o2-5 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12o3-4 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-2 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-2o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-3 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-3o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-4 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-4o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-5 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh1-5o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-1 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-1o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-3 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-3o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-4 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-4o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-5 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-5o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-6 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh2-6o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-1 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-1o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-2 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-2o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-4 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-4o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-5 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-5o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-6 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h12ooh3-6o2 2 677.149 6.436 0.000 0.000 0.000 !FLAMEMASTER c6h13-1 2 489.224 5.349 0.000 0.000 0.000 !FLAMEMASTER c6h13-2 2 489.224 5.349 0.000 0.000 0.000 !FLAMEMASTER c6h13-3 2 489.224 5.349 0.000 0.000 0.000 !FLAMEMASTER c6h13o-1 2 540.597 5.662 0.000 0.000 0.000 !FLAMEMASTER c6h13o-2 2 540.597 5.662 0.000 0.000 0.000 !FLAMEMASTER c6h13o2-1 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h13o2-2 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h13o2-3 2 588.653 5.943 0.000 0.000 0.000 !FLAMEMASTER c6h13o2h-1 2 591.585 5.960 0.000 0.000 0.000 !FLAMEMASTER c6h13o2h-2 2 591.585 5.960 0.000 0.000 0.000 !FLAMEMASTER c6h13o2h-3 2 591.585 5.960 0.000 0.000 0.000 !FLAMEMASTER c6h13o-3 2 540.597 5.662 0.000 0.000 0.000 !FLAMEMASTER cc4h8o 2 444.197 5.063 0.000 0.000 0.000 !FLAMEMASTER cc5h10 2 437.102 5.017 0.000 0.000 0.000 !FLAMEMASTER cc5h10ooh-a 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER cc5h10ooh-ao2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER cc5h10ooh-b 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER cc5h10ooh-bo2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER cc5h10ooh-d 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER cc5h10ooh-do2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER cc5h11 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER cc5h11o2 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER cc5h11o2h 2 549.783 5.717 0.000 0.000 0.000 !FLAMEMASTER c-dc5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER ch2ch2coch3 2 440.584 5.040 0.000 0.000 0.000 !FLAMEMASTER ch2choohcoch3 2 546.562 5.698 0.000 0.000 0.000 !FLAMEMASTER ch3chcho 2 387.860 4.687 0.000 0.000 0.000 !FLAMEMASTER ch3chcoch3 2 440.584 5.040 0.000 0.000 0.000 !FLAMEMASTER ch3choococh3 2 546.562 5.698 0.000 0.000 0.000 !FLAMEMASTER ch3coch2o 2 447.639 5.086 0.000 0.000 0.000 !FLAMEMASTER ch3coch2o2 2 502.115 5.429 0.000 0.000 0.000 !FLAMEMASTER ch3coch2o2h 2 505.403 5.449 0.000 0.000 0.000 !FLAMEMASTER dc5h10ooh-a 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER dc5h10ooh-ao2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER dc5h10ooh-b 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER dc5h10ooh-bo2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER dc5h10ooh-c 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER dc5h10ooh-co2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER dc5h11 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER dc5h11o2 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER dc5h11o2h 2 549.783 5.717 0.000 0.000 0.000 !FLAMEMASTER ic3h5coc2h4p 2 527.994 5.587 0.000 0.000 0.000 !FLAMEMASTER ic3h5coc2h4s 2 527.994 5.587 0.000 0.000 0.000 !FLAMEMASTER ic3h5coc2h5 2 531.165 5.606 0.000 0.000 0.000 !FLAMEMASTER ic3h5coch2 2 482.331 5.306 0.000 0.000 0.000 !FLAMEMASTER ic3h5coch3 2 485.716 5.327 0.000 0.000 0.000 !FLAMEMASTER ic3h6chcoch2 2 527.994 5.587 0.000 0.000 0.000 !FLAMEMASTER ic3h6chcoch3 2 531.165 5.606 0.000 0.000 0.000 !FLAMEMASTER ic3h6coc2h3 2 527.994 5.587 0.000 0.000 0.000 !FLAMEMASTER ic3h6coc2h5 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER ic3h6coch3 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER ic3h7coc2h3 2 531.165 5.606 0.000 0.000 0.000 !FLAMEMASTER ic3h7coc2h4p 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER ic3h7coc2h4s 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER ic3h7coc2h5 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER ic3h7coch2 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER ic4h6q2-ii 2 597.176 5.992 0.000 0.000 0.000 !FLAMEMASTER ic4h7-i1 2 380.022 4.633 0.000 0.000 0.000 !FLAMEMASTER ic4h7ooh 2 498.949 5.410 0.000 0.000 0.000 !FLAMEMASTER ic4h8o 2 444.197 5.063 0.000 0.000 0.000 !FLAMEMASTER ic4h8ooh-i 2 502.252 5.430 0.000 0.000 0.000 !FLAMEMASTER ic4h8ooh-io2 2 600.078 6.009 0.000 0.000 0.000 !FLAMEMASTER ic4h8ooh-t 2 502.252 5.430 0.000 0.000 0.000 !FLAMEMASTER ic4h8ooh-to2 2 600.078 6.009 0.000 0.000 0.000 !FLAMEMASTER ic4h9o2 2 502.252 5.430 0.000 0.000 0.000 !FLAMEMASTER ic4h9o2h 2 505.540 5.450 0.000 0.000 0.000 !FLAMEMASTER ic4ketii 2 549.655 5.716 0.000 0.000 0.000 !FLAMEMASTER ic4ketit 2 549.655 5.716 0.000 0.000 0.000 !FLAMEMASTER ic5ketaa 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketab 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketac 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketad 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketca 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketcb 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketcd 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketda 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketdb 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER ic5ketdc 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER nc3h7coc2h4p 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER nc3h7coc2h4s 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER nc3h7coc2h5 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER nc3h7coch2 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER nc4h9coch2 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER nc4h9coch3 2 537.467 5.643 0.000 0.000 0.000 !FLAMEMASTER neo-c5h10o 2 492.434 5.369 0.000 0.000 0.000 !FLAMEMASTER neoc5h10ooh 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER neoc5h10ooh-o2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER neoc5h11 2 440.735 5.041 0.000 0.000 0.000 !FLAMEMASTER neoc5h11o 2 495.769 5.390 0.000 0.000 0.000 !FLAMEMASTER neoc5h11o2 2 546.691 5.698 0.000 0.000 0.000 !FLAMEMASTER neoc5h11o2h 2 549.783 5.717 0.000 0.000 0.000 !FLAMEMASTER neoc5h12 2 444.347 5.064 0.000 0.000 0.000 !FLAMEMASTER neoc5h9q2 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER neoc5h9q2-n 2 639.455 6.230 0.000 0.000 0.000 !FLAMEMASTER neoc5kejol 2 540.467 5.661 0.000 0.000 0.000 !FLAMEMASTER neoc5ket 2 591.463 5.959 0.000 0.000 0.000 !FLAMEMASTER neoc5ketox 2 540.467 5.661 0.000 0.000 0.000 !FLAMEMASTER o2c4h8cho 2 588.531 5.942 0.000 0.000 0.000 !FLAMEMASTER o2hc4h8co 2 588.531 5.942 0.000 0.000 0.000 !FLAMEMASTER sc3h5coch2 2 482.331 5.306 0.000 0.000 0.000 !FLAMEMASTER tc3h6coc2h3 2 527.994 5.587 0.000 0.000 0.000 !FLAMEMASTER tc3h6coc2h5 2 534.323 5.625 0.000 0.000 0.000 !FLAMEMASTER tc3h6coch3 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER tc4h8cho 2 489.084 5.348 0.000 0.000 0.000 !FLAMEMASTER tc4h8ooh-i 2 502.252 5.430 0.000 0.000 0.000 !FLAMEMASTER tc4h8ooh-io2 2 600.078 6.009 0.000 0.000 0.000 !FLAMEMASTER tc4h9o2 2 502.252 5.430 0.000 0.000 0.000 !FLAMEMASTER tc4h9o2h 2 505.540 5.450 0.000 0.000 0.000 !FLAMEMASTER ch2o2hcho 2 436.000 3.970 0.000 0.000 2.000 !WJP BASED ON CH3CHO o2hc4h7cho 2 464.2 5.009 2.6 0.0 1.0 !WJP BASED ON NC3H7CHO ch3choohcoch3 2 454.0 5.413 3.3 0.0 1.0 !WJP BASED ON METHYLETHYLKETONE (C2H5COCH3) ic3h6chcho 2 476.0 5.778 2.6 0.0 1.0 !WJP BASED ON NC4H9CHO (PENTANAL) ic3h6chco 2 476.0 5.778 2.6 0.0 1.0 !WJP BASED ON NC4H9CHO (PENTANAL) ac3h5chcho 2 476.0 5.778 2.6 0.0 1.0 !WJP BASED ON NC4H9CHO (PENTANAL) c4h8oh-1o2 2 502.2 5.356 1.8 0.0 1.0 ! WJP BASED ON NC4H9OH (N-BUTANOL) c4h8oh-2o2 2 502.2 5.356 1.8 0.0 1.0 ! WJP BASED ON NC4H9OH (N-BUTANOL) pc4h8oh 2 502.2 5.356 1.8 0.0 1.0 ! WJP BASED ON NC4H9OH (N-BUTANOL) sc4h8oh 2 502.2 5.356 1.8 0.0 1.0 ! WJP BASED ON NC4H9OH (N-BUTANOL) ic4h8o2h-i 2 502.2 5.356 1.8 0.0 1.0 ! WJP BASED ON NC4H9OH (N-BUTANOL) ic4h8o2h-t 2 502.2 5.356 1.8 0.0 1.0 ! WJP BASED ON NC4H9OH (N-BUTANOL) tc4h8o2h-i 2 502.2 5.356 1.8 0.0 1.0 ! WJP BASED ON NC4H9OH (N-BUTANOL) ch2och2o2h 2 395.0 4.037 1.3 0.0 1.0 ! ch3och3 xc7h13ooh-y2 2 437.3 6.168 0.0 0.0 1.0 ! WJP neoc7h16 xc7h13o-y2 2 437.3 6.168 0.0 0.0 1.0 ! WJP neoc7h16 c6h101-3 2 426.3 5.51 0 0 1 !!! C6H10 c6h101-4 2 426.3 5.51 0 0 1 !!! C6H10 !c6h101-5 2 426.3 5.51 0 0 1 !!! C6H10 c6h10-15 2 415.0 5.715 0.0 0.0 1.0 ! WJP, 1,5-hexadiene, TcPc, Poling 4th Ed. c6h102-4 2 426.3 5.51 0 0 1 !!! C6H10 etes1 2 537.467 5.643 0 0 0 !!! C6H12O1-2 mvox 2 537.467 5.643 0 0 0 !!! C6H12O1-2 vthf 2 537.467 5.643 0 0 0 !!! C6H12O1-2 edhf 2 537.467 5.643 0 0 0 !!! C6H12O1-2 etc6 2 537.467 5.643 0 0 0 !!! C6H12O1-2 kes1 2 537.467 5.643 0 0 0 !!! C6H12O1-2 c6h111o2h-3 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h111o2h-4 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h111o2h-5 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h111o2h-6 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h112o2h-4 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h112o2h-5 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h112o2h-6 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h113o2h-2 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h113o2h-1 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 nc6d1ket34 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket35 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket36 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket43 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket45 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket46 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket53 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket54 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket56 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket63 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket64 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d1ket65 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d2ket45 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d2ket46 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d2ket54 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d2ket56 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d2ket64 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d2ket65 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d3ket12 2 467 6.548 1.8 0 1 !!! NC6KET24 nc6d3ket21 2 467 6.548 1.8 0 1 !!! NC6KET24 c6h112o2-1 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h111o2-3 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h111o2-4 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h111o2-5 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h111o2-6 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h112o2-4 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h112o2-5 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h112o2-6 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h113o2-1 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h113o2-2 2 588.653 5.943 0 0 0 !!! C6H13O2-1 c6h101ooh3-4 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh3-5 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh3-6 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh4-3 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh4-5 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh4-6 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh5-3 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh5-4 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh5-6 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh6-3 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh6-4 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh6-5 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h101ooh3-4o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh3-5o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh3-6o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh4-3o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh4-5o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh4-6o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh5-3o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh5-4o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh5-6o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh6-3o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh6-4o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h101ooh6-5o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h102ooh5-4 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h103ooh1-2 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h102ooh4-5 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h102ooh4-6 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h102ooh5-6 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h102ooh6-4 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h102ooh6-5 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h103ooh2-1 2 591.585 5.96 0 0 0 !!! C6H13O2H-2 c6h102ooh4-5o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h102ooh4-6o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h102ooh5-4o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h102ooh5-6o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h102ooh6-4o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h102ooh6-5o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h103ooh2-1o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c6h103ooh1-2o2 2 677.149 6.436 0 0 0 !!! C6H12OOH1-2O2 c2h3coc3h7 2 541.5 5.674 1.8 0 1 !!! FC6H13O !c5h81-4 2 386.2 5.489 0.4 0 1 !!! C5H10-1 ac5h9-a2 2 386.6 5.532 0.5 0 1 !!! AC5H10 ac5h9-c 2 386.6 5.532 0.5 0 1 !!! AC5H10 ac5h9-d 2 386.6 5.532 0.5 0 1 !!! AC5H10 cc5h9-a 2 386.6 5.532 0.5 0 1 !!! AC5H10 cc5h9-b 2 386.6 5.532 0.5 0 1 !!! AC5H10 ac5h9o-a2 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene ac5h9o-c 2 430.1 5.833 0 0 1 !!! IC6H13 cc5h9o-b 2 397.9 5.767 0 0 1 !!! NEOC6H12 ac5h10oh 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene bc5h10oh 2 397.9 5.767 0 0 1 !!! NEOC6H12 cc5h10oh 2 397.9 5.767 0 0 1 !!! NEOC6H13 ao2c5h10oh 2 541.5 5.674 1.8 0 1 !!! EC6H13O2H bo2c5h10oh 2 541.5 5.674 1.8 0 1 !!! EC6H13O2H co2c5h10oh 2 541.5 5.674 1.8 0 1 !!! EC6H13O2H cc6h12 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene ac6h11-a2 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene ac6h11-c 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene ac6h11-d 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene ac6h11-e 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene bc6h11-e 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene cc6h11-a 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene cc6h11-b 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene cc6h11-d 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene dc6h11-a 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene dc6h11-b 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene dc6h11-c 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene ac6h11o-c 2 437.3 6.168 0 0 1 !!! 2-4C7H16 dc6h11o-c 2 437.3 6.168 0 0 1 !!! 2-4C7H16 cc6h13o 2 437.3 6.168 0 0 1 !!! 2-4C7H16 ac6h12oh 2 437.3 6.168 0 0 1 !!! 2-4C7H16 bc6h12oh 2 437.3 6.168 0 0 1 !!! 2-4C7H16 cc6h12oh 2 437.3 6.168 0 0 1 !!! 2-4C7H16 dc6h12oh 2 437.3 6.168 0 0 1 !!! 2-4C7H16 ao2c6h12oh 2 561 6.317 1.7 0 1 !!! NC7H15O2 bo2c6h12oh 2 561 6.317 1.7 0 1 !!! NC7H15O2 co2c6h12oh 2 561 6.317 1.7 0 1 !!! NC7H15O2 do2c6h12oh 2 561 6.317 1.7 0 1 !!! NC7H15O2 c5h91-2 2 386.2 5.489 0.4 0 1 !!! C5H10-1 !ic5h8 2 382.1 5.548 0 0 1 !!! IC5H12 ic5h8 2 396.5 5.419 0.3 0.0 1.0 ! wjp: isoprene, TcPc, Poling 4th Ed. !ic5h7 2 382.1 5.548 0 0 1 !!! IC5H12 ic5h7 2 396.5 5.419 0.3 0.0 1.0 ! wjp: isoprene, TcPc, Poling 4th Ed. ic5h7o 2 430.1 5.833 0 0 1 !!! 2-methyl-2-pentene c5h81-3 2 407.3 5.397 0.7 0.0 1.0 ! WJP: 1,3-pentadiene-trans, TcPc, Poling 4th Ed. c4h5 2 350.4 4.984 0 0 1 !!! 1,3-C4H6 c7h16-24 2 437.3 6.168 0 0 1 !!! 2-4C7H16 xc7h13-x1 2 541.5 5.674 1.8 0 1 !!! DC6H13O xc7h13-z 2 541.5 5.674 1.8 0 1 !!! DC6H13O xc7h13-x2 2 541.5 5.674 1.8 0 1 !!! DC6H13O xc7h13-y2 2 541.5 5.674 1.8 0 1 !!! DC6H13O yc7h13-y2 2 541.5 5.674 1.8 0 1 !!! DC6H13O yc7h13-x2 2 541.5 5.674 1.8 0 1 !!! DC6H13O yc7h13o-y2 2 458.5 6.414 0 0 1 !!! IC8H18 xc7h14oh 2 458.5 6.414 0 0 1 !!! IC8H19 yc7h14oh 2 458.5 6.414 0 0 1 !!! IC8H20 xo2c7h14oh 2 581.3 6.506 2 0 1 !!! AC8H17O2 yo2c7h14oh 2 581.3 6.506 2 0 1 !!! AC8H17O3 acc6h10 2 430.1 5.833 0 0 1 !!! AC6H12 acc6h9-a 2 430.1 5.833 0 0 1 !!! AC6H12 acc6h9-d 2 430.1 5.833 0 0 1 !!! AC6H12 neoc6h12oh 2 437.3 6.168 0 0 1 !!! NEOC7H16 neoo2c6h12oh 2 561 6.317 1.7 0 1 !!! OC7H14OOH-P ac5h9-a1 2 386.6 5.532 0.5 0 1 !!! AC5H10 oc7h13-n 2 437.3 6.168 0 0 1 !!! NEOC7H16 pc7h13-n 2 437.3 6.168 0 0 1 !!! NEOC7H16 pc7h13-o 2 437.3 6.168 0 0 1 !!! NEOC7H16 oc7h14oh 2 458.5 6.414 0 0 1 !!! IC8H18 pc7h14oh 2 458.5 6.414 0 0 1 !!! IC8H18 oo2c7h14oh 2 581.3 6.506 2 0 1 !!! AC8H17O2 po2c7h14oh 2 581.3 6.506 2 0 1 !!! AC8H17O3 (ic5h7)2 2 537.9 6.987 0.0 0.0 1.0 !wjp: TcPc, Poling 4th Edition !1-c10h20 c6h5c2h 2 535.6 5.72 0.77 12.00 1.000 !JetSurF 1.1 a1c2h 2 535.6 5.72 0.77 12.00 1.000 !JetSurF 1.1 a-ac5h10o 2 386.6 5.532 0.5 0.0 1.0 !WJP, aC5H10 a-bc5h10o 2 386.6 5.532 0.5 0.0 1.0 !WJP, aC5H10 a-ac6h12o 2 430.1 5.833 0.0 0.0 1.0 ! WJP, BC6H12 a-bc6h12o 2 430.1 5.833 0.0 0.0 1.0 ! WJP, BC6H12 ac3h4ch2ch 2 412.9 5.387 0.0 0.0 1.0 !wjp, c5h8 ac3h4ch2co 2 412.9 5.387 0.0 0.0 1.0 !wjp, c5h8 ac3h4coc2h 2 412.9 5.387 0.0 0.0 1.0 !wjp, c5h8 ac3h4coch3 2 412.9 5.387 0.0 0.0 1.0 !wjp, c5h8 ac3h5chcoc 2 412.9 5.387 0.0 0.0 1.0 !wjp, c5h8 ! Species added for toluene: c6h5o2 2 621.100 5.640 0.000 0.000 1.000 !!FINTO rodc6jdo 2 621.100 5.640 0.000 0.000 1.000 !!FINTO yoc6jdo 2 621.100 5.640 0.000 0.000 1.000 !!FINTO o*cc*ccj*o 2 621.100 5.640 0.000 0.000 1.000 !!FINTO bicpd 2 621.100 5.640 0.000 0.000 1.000 !!FINTO c6jyoo 2 621.100 5.640 0.000 0.000 1.000 !!FINTO cy13pd 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook cy13pd5j 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook c6h5oj 2 600.9 5.218 1.6 0.0 1.0 ! wjp: phenol, TcPc, Poling 4th Edition, NIST Webbook c6h5ch2oh 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 phch2oh 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 c*cc#c 2 367.2 4.892 0.0 0.0 1.0 ! wjp: TcPc, Poling 4th Edition, vinyl acetylene c4h4 2 367.2 4.892 0.0 0.0 1.0 ! wjp: TcPc, Poling 4th Edition, vinyl acetylene ch2cy24pd 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook cyc6h7 2 468.500 5.230 0.000 0.000 1.000 cpdjch3 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook ind 2 588.6 5.96 0.65 0.000 1.000 ! indene, Wang&Frenchlach 1994 naph 2 630.4 6.18 0.00 16.50 1.000 ! naphthalene, Wang&Frenchlach 1994 styr 2 546.2 6.00 0.13 15.000 1.000 ! indene, Wang&Frenchlach 1994 dicypd 2 621.100 5.640 0.000 0.000 1.000 !!FINTO bicpdj 2 621.100 5.640 0.000 0.000 1.000 !!FINTO c4h5 2 350.4 4.984 0.0 0.0 1.0 !!! wjp 1,3-C4H6,TcPc, Poling 4th Edition c#ccj 1 324.800 4.290 0.000 0.000 1.000 ! c3h3 c*cc*cj 2 350.4 4.984 0.0 0.0 1.0 ! WJP: 1,3 butadiene, TcPc, Poling 4th Ed. linc6h7 2 415.0 5.715 0.0 0.0 1.0 ! wjp, 1,5-hexadiene, TcPc, Poling 4th Edition c5h8 2 407.3 5.397 0.7 0.0 1.0 ! wjp: 1,3-pentadiene-trans,TcPc, Poling 4th Edition c*cc*cc 2 407.3 5.397 0.7 0.0 1.0 ! wjp: 1,3-pentadiene-trans,TcPc, Poling 4th Edition c*cc*ccj 2 407.3 5.397 0.7 0.0 1.0 ! WJP: 1,3-pentadiene-trans, TcPc, Poling 4th Ed. ch3cy24pd 2 621.100 5.640 0.000 0.000 1.000 !FINTO cyc5h8 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook cyc5h4ch3 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook cyc5h9 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook cyc5h7_1 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook c5h81-4 2 386.8 5.437 0.4 0.0 1.0 !wjp: 1,4-pentadiene, TcPc, Poling 4th Edition c*ccjc*c 2 386.8 5.437 0.4 0.0 1.0 !wjp: 1,4-pentadiene, TcPc, Poling 4th Edition cpdc*c 2 417.6 5.109 0.9 0.0 1.0 !wjp: cyclopentene, TcPc, Poling 4th Edition, NIST Webbook c5h81-2 2 412.9 5.387 0.0 0.0 1.0 ! wjp: 1,2-pentadiene, TcPc, Poling 4th Edition c*c*cc 2 412.9 5.387 0.0 0.0 1.0 ! wjp: 1,2-pentadiene, TcPc, Poling 4th Edition c6h5oh 2 600.9 5.218 1.6 0.0 1.0 ! wjp: phenol, TcPc, Poling 4th Edition, NIST Webbook chdko 2 600.9 5.218 1.6 0.0 1.0 ! wjp: phenol, TcPc, Poling 4th Edition, NIST Webbook chdjko 2 600.9 5.218 1.6 0.0 1.0 !wjp: phenol, TcPc, Poling 4th Edition, NIST Webbook cypdone 2 621.100 5.640 0.000 0.000 1.000 !!FINTO ch3ocho 2 406.8 4.668 1.8 0.0 1.0 ! wjp: methyl formate, TcPc, Poling 4th Edition hcocj*o 2 428.8 4.958 2.9 0.0 1.0 ! wjp: acrolein, TcPc, Poling 4th Edition cyc5h4oh 2 450.000 5.500 0.000 0.000 1.000 ! NMM cyc5h5oj 2 450.000 5.500 0.000 0.000 1.000 ! NMM cyc5h5oh 2 450.000 5.500 0.000 0.000 1.000 ! NMM o*cjc*cc*c 2 476.0 5.778 2.6 0.0 1.0 !wjp: pentanal, TcPc, Poling 4th Edition cc*ccjo 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition cj*c*o 2 436.000 3.970 0.000 0.000 2.000 !ketene cj*cc*o 2 428.8 4.958 2.9 0.0 1.0 ! WJP: acrolein, TcPc, Poling 4th Edition hocho 2 436.000 3.970 0.000 0.000 2.000 ! WJP, ketene o*choj 2 314.3 4.191 1.4 0.0 1.0 ! wjp: ketene, TcPc, Poling 4th Edition hcocj*o 2 428.8 4.958 2.9 0.0 1.0 ! wjp: acrolein, TcPc, Poling 4th Edition hcohco 2 428.8 4.958 2.9 0.0 1.0 ! wjp: acrolein, TcPc, Poling 4th Edition c-c5h9ch3 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 5th Edition cpdooh 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 5th Edition cpdjone 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 5th Edition c*occjc*o 2 476.0 5.778 2.6 0.0 1.0 !wjp: pentanal, TcPc, Poling 4th Edition dhco2j 2 476.0 5.778 2.6 0.0 1.0 !wjp: pentanal, TcPc, Poling 4th Edition c*ocjoh 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition c*cc*c*o 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition cj*cc*c*o 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition c*cccj*o 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition o*cc*cc*cj 2 476.0 5.778 2.6 0.0 1.0 ! wjp: pentanal, TcPc, Poling 4th Edition c*occcjc*o 2 476.0 5.778 2.6 0.0 1.0 ! wjp: pentanal, TcPc, Poling 4th Edition c*occ*cj 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition c*occcj*o 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition o*cjc*ccc*o 2 476.0 5.778 2.6 0.0 1.0 ! wjp: pentanal, TcPc, Poling 4th Edition c*occc*o 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition c*ocjc*o 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition c*occ*o 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition c*ccco2j 2 476.0 5.778 2.6 0.0 1.0 ! wjp: pentanal, TcPc, Poling 4th Edition o*cc*cc*o 2 476.0 5.778 2.6 0.0 1.0 ! wjp: pentanal, TcPc, Poling 4th Edition chx 2 458.0 5.553 0.3 0.0 1.0 ! wjp, cycohexane, TcPc, Poling 5th Edition cyc4h5o21 2 458.0 5.553 0.3 0.0 1.0 ! wjp, cycohexane, TcPc, Poling 5th Edition o*cc*ccjc*o 2 476.0 5.778 2.6 0.0 1.0 ! wjp: pentanal, TcPc, Poling 4th Edition c*oc*ccj 2 464.2 5.009 2.6 0.0 1.0 !WJP: butanal, TcPc, Poling 4th Edition c5h5o1_1 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 5th Edition phch2ooj 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 c6h5ch2j 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 phch2oj 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 c6h5cjo 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 phch2ooh 2 495.300 5.680 0.430 12.30 1.000 ! Toluene, Wang and Frencklach, 1996 fulvene 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 4th Edition fulvenyl 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 4th Edition mcp 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 4th Edition c*cc(c#c)*c 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 4th Edition h2cc 1 265.300 3.721 0.000 0.000 2.500 ! c2h2 ! Methylcyclohexane (MCH) species: cc3h4 2 324.800 4.290 0.000 0.000 1.000 ! allene, NMM c4h3 1 357.000 4.720 0.000 0.000 1.000 ! NMM n-c4h3 1 357.000 4.720 0.000 0.000 1.000 ! c4h3, NMM i-c4h3 1 357.000 4.720 0.000 0.000 1.000 ! c4h3, NMM c4h4o 2 357.000 4.720 0.000 0.000 1.000 ! c4h6, NMM i-c4h5 2 350.4 4.984 0.0 0.0 1.0 ! 1,3-C4H6, wjp: TcPc, Poling 4th Edition c4h5-2 2 350.4 4.984 0.0 0.0 1.0 ! 1,3-C4H6, wjp: TcPc, Poling 4th Edition c4h6-2 2 350.4 4.984 0.0 0.0 1.0 ! 1,3-C4H6, wjp: TcPc, Poling 4th Edition c2h3choch2 2 454.0 5.413 3.300 0.000 1.000 !wjp, c2h5coch3, TcPc, Poling 4th Edition c4h6o25 2 350.4 4.984 0.0 0.0 1.0 ! 1,3-C4H6, wjp: TcPc, Poling 4th Edition c4h6o23 2 350.4 4.984 0.0 0.0 1.0 ! 1,3-C4H6, wjp: TcPc, Poling 4th Edition x14c5h8 2 386.8 5.437 0.4 0.0 1.0 ! wjp: 1,4-pentadiene, TcPc, Poling 4th Edition ac5h9d 2 396.5 5.419 0.3 0.0 1.0 ! wjp: isoprene, TcPc, Poling 4th Ed. cc5h9a 2 396.5 5.419 0.3 0.0 1.0 ! wjp: isoprene, TcPc, Poling 4th Ed. c6h10-15 2 415.0 5.715 0.0 0.0 1.0 ! wjp, 1,5-hexadiene, TcPc, Poling 4th Edition c6h3 2 415.0 5.715 0.0 0.0 1.0 ! wjp, 1,5-hexadiene, TcPc, Poling 4th Edition l-c6h4 2 415.0 5.715 0.0 0.0 1.0 ! wjp, 1,5-hexadiene, TcPc, Poling 4th Edition x135c6h8 2 415.0 5.715 0.0 0.0 1.0 ! wjp, 1,5-hexadiene, TcPc, Poling 4th Edition c-c6h4 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition cychexene 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x135c6h8 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x13cychex 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x14cychex 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x125c6h8 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition cycc6h91 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x13c6h96 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x14c6h96 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x15c6h93 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition cycc6h92 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x15c6h10 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x3c6h1016 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x2c6h1016 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x13c6h10 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition cychexrad 2 463.6 5.459 0.6 0.0 1.0 ! wjp, cyclohexene, TcPc, Poling 4th Edition x136c7h10 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x135c7h10 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gkmc7h10 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gikc7h10 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC acec7h10 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x16c7h113 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x16c7h114 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x15c7h113 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x15c7h114 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x15c7h117 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC aec7h11g 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC aec7h11c 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC aec7h11d 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gkc7h11m 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gkc7h11i 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gkc7h11j 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x16c7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x15c7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC aec7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gkc7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC acc7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC metcychex 2 442.5 5.616 0.0 0.0 1.0 ! wjp, methylcycopentane, TcPc, Poling 4th Edition x13c7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC x24c7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC cec7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ikc7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gmc7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gic7h12 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC mch 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mchr1 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mchr2 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mchr3 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mchr4 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition cychexch2 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition ac7h14 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ec7h14 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gc7h14 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC kc7h14 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC c7h14 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC kc7h14 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ac7h13f 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ec7h13a 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ac7h14f 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ec7h14a 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gc7h13l 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC kc7h13g 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ac7h13c 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC gc7h13i 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC kc7h13j 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC ec7h13d 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC c7h14gl 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC c7h14af 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC c7h1416 2 457.8 6.173 0.3 0.0 1.0 ! wjp: 1c7h14, TCPC c4h814 2 345.7 5.088 0.3 0.0 1.0! WJP: c4h8-1, TcPc, Poling 4th Ed. c5h10ad 2 386.2 5.489 0.4 0.0 1.0 ! WJP, 1c5h10, TcPc c5h1014 2 386.2 5.489 0.4 0.0 1.0 ! WJP, 1c5h10, TcPc mch1oo 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch2oo 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch3oo 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch4oo 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition chxch2oo 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch1qx 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch1qj2 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch1qj3 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch1qj4 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch2qx 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4h Edition mch2qj3 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch2qj1 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 4th Edition mch2qj4 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2qj5 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2qj6 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3qj2 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3qj5 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3qj1 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3qj6 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4qj3 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4qj2 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4qj1 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxj1ch2q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxj2ch2q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition c7ene-one 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition c7ene-onej 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition c7enej-one 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mche 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mchyo23 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mcho 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mchyo24 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mchyo25 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch1ooh 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2ooh 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3ooh 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4ooh 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxch2ooh 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch1oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxch2oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxdch2 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxyco-2 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition c6h11cho1 2 550.6 5.873 1.7 0.0 1.0 ! WJP, cycohexanol, TcPc, Poling 4th Ed. chxdo 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition ccoccccc. 2 561.0 6.317 1.7 0.0 1.0 ! WJP: 1c7h15oh, TCPC cc.ccccco 2 561.0 6.317 1.7 0.0 1.0 ! WJP: 1c7h15oh, TCPC cyc6h11oh 2 550.6 5.873 1.7 0.0 1.0 ! WJP, cycohexanol, TcPc, Poling 4th Ed. ic4h9coch3 2 499.2 6.099 1.8 0.0 1.0 ! WJP, methy isobutyl ketone, TcPc, Poling 4th Ed. ic6h12cho5 2 499.2 6.099 1.8 0.0 1.0 ! WJP, methy isobutyl ketone, TcPc, Poling 4th Ed. ic6h12cho4 2 499.2 6.099 1.8 0.0 1.0 ! WJP, methy isobutyl ketone, TcPc, Poling 4th Ed. ic6h12cho3 2 499.2 6.099 1.8 0.0 1.0 ! WJP, methy isobutyl ketone, TcPc, Poling 4th Ed. ic6h12cho2 2 499.2 6.099 1.8 0.0 1.0 ! WJP, methy isobutyl ketone, TcPc, Poling 4th Ed. mchje 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mchde 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mchjde 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition c*ccc*cc.c 2 457.8 6.173 0.3 0.0 1.0 ! WJP, 1c7h14, TCPC cc.c*cccco 2 561.0 6.317 1.7 0.0 1.0 ! WJP: 1c7h15oh, TCPC mch2q3qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o3q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o3oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o3o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o1q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o1oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chx1o2o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2q1qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2qxqj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2oxq 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2oxoj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chx1o2j 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2q4qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o4q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o4oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o4o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2q5qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o5q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o5oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o5o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2q6qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o6q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch2o6oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3q2qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o2q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o2oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3q5qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o5q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o5oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o5o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3q1qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o1q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o1oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o1o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chx1o3o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4q3qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4o3q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4o3oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o4o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4q2qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4o2q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4o2oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4q1qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4o1q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch4o1oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chx1o4o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mchxq1qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxcho1q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mchxq2qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxcho2q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxo12 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3q6qj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o6q 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o6oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition mch3o6o 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition chxcho2oj 2 475.7 5.916 0.0 0.0 1.0 ! wjp: methylcyclohexane, TcPc, Poling 5th Edition c4h7c2h3 2 415.0 5.715 0.0 0.0 1.0 ! WJP, 1,5-hexadiene, TcPc, Poling 4th Ed. c5h9c2h3 2 457.8 6.173 0.3 0.0 1.0 ! WJP, 1c7h14, TCPC ic5h6oj 2 523.2 5.664 1.7 0.0 1.0 ! WJP, TCPC, 1-PENTANOL ebz 2 520.1 5.956 0.4 0.0 1.0 ! WJP: ethyl benzene,TcPc, Poling 4th&5th Ed., NIST Webbook ic6h11 2 397.9 5.767 0.0 0.0 1.0 ! WJP, 3,3-dimethyl-1-butene, , TcPc, Poling 4th Ed. ic6h12 2 397.9 5.767 0.0 0.0 1.0 ! WJP, 3,3-dimethyl-1-butene, , TcPc, Poling 4th Ed.