Solubility data --> Analytical data --> H-NMR assignment data (analytical data) --> C-NMR assignment data (analytical data) --> Molecular Compositions --> Molecular Descriptors (with RDKIT) --> Compound Name Molecular Formula dD dH dP SP LogP Density Refractive index Phenols-OH||3.9-9.9 Alcoholes-OH|1.0-5.2 Thioalcohols-OH|3.5-4.0 Amines-NH2|3.6-4.7 Carboxylic_acids-OH|9.0-11.9 Aldehydes|9.5-10.5 Heteroaromatic1|8.1-8.8 Heteroaromatic2|6.5-7.4 Aromatic|6.5-8.5 Alkenes(HC=-)|4.5-7.9 Alkenes(CH2=)|4.5-6.5 Alcoholes(-HC-O-)|3.8-5.2 Alcoholes(-H2C-O-)|3.6-4.5 Alcoholes(H3C-O-)|3.2-3.9 Alkines|2.4-3.0 X-CH3(-N=)|2.2-3.3 X-CH3(-S-)|2.1-2.8 X-CH3(-Ph)|2.1-2.5 _CH2_(-CO-CH2)|2.1-2.5 _CH2_|1.2-1.7 CH3-CO-|1.8-2.7 CH3-C=-|1.5-2.0 X-C-CH3|0.8-2.0 Cyclopropyl|0.3-0.5 CH3-M(Si,Li,Al..)|-0.5-0.0 >C=O|Ketone|202-227 >C=O|Aldehyde|183-207 >C=O|Acid|171-182 >C=O|Ester_Amide|160-174 >C=S|Thioketone|190-201 >C=N-|Azomethine|145-161 >C=N|Nitrile|116-124 >C=N-|Heteroaromatic|146-153 >C=C<|Alkene|104-143 >C=C<|Aromatic|112-135 >C=C<|Heteroaromatic|116-139 -C=C-|Alkyne|75-93 ->C-C<-|28-51 ->C-O-|72-83 ->C-N<|61-74 ->C-S-|52-70 ->CH-Hal|34-77 >CH-C<-|31-69 >CH-O-|64-77 >CH-N<|54-67 >CH-S-|54-66 >CH-Hal|31-63 -CH2-C<|22-43 -CH2-O-|41-70 -CH2-N<|42-57 -CH2-S-|24-42 -CH2-Hal|1-38 H3C-C<-|3-28 H3C-O-|48-58 H3C-N<|11-42 H3C-S-|10-18 H3C-Hal|1-27 cyclopropan|0-2 H C S CHO CO OH Halogen Chi0n VSA_EState9 SMR_VSA10 SMR_VSA5 SlogP_VSA12 MinPartialCharge MaxPartialCharge 3_HallKierAlpha NumAromaticRings NumHAcceptors NumHDonors RingCount NHOHCount NumHeteroatoms Acetaldehyde C2H4O 14.7 7.9 12.5 20.9 0.2052 0.788 1.328 4 2 0 0 4 4 0 0 0 0 0 0 0 0 0 2 2 2 2 0 2 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 4 4 0 1 0 0 0 2.407 11.84 8.65 2.54 -0.224 -0.292 0.133 -0.252 0 1 0 0 0 1 Acetic Acid C2H4O2 14.5 13.5 8 21.4 0.0909 1.049 1.37 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 5 5 0 0 0 0 0 3.052 12.79 13.211 6.83 1.168 -0.395 0.277 -0.332 0 1 0 0 1 1 Acetic Anhydride C4H6O3 16 10.2 11.7 22.3 0.096 1.082 1.389 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 1 0 5 5 0 0 0 0 1 3.109 12.75 13.712 8.69 2.328 -0.34 0.259 -0.579 0 1 0 0 0 1 Acetone C3H6O 15.5 7 10.4 19.9 0.5953 0.791 1.356 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 6 6 0 0 1 0 1 3.165 13.31 8.406 17.27 -1.239 -0.256 0.076 -0.457 0 1 0 0 0 1 Acetonitrile C2H3N 15.3 6.1 18 24.4 0.52988 0.786 1.342 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 7 7 0 0 0 0 1 3.555 9.67 7.867 13.78 -0.456 -0.277 0.117 -0.351 0 1 0 0 0 1 Acetoxime C3H7NO 16.3 10.9 3.7 20 0.8564 0.901 -1.446 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 2 1 2 0 8 8 0 0 0 0 1 3.637 11.21 9.85 13.28 4.147 -0.291 0.216 -0.116 0 1 0 0 0 1 Acetylacetone C5H8O2 16.1 6.2 10 19.9 0.5545 0.957 1.447 1 5 1 1 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 0 4 0 0 0 0 1 2 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 2 1 0 2 2 1 0 2 0 1 0 8 8 0 0 1 0 0 4.056 20.48 14.578 22.85 0.262 -0.283 0.133 -0.599 0 1 0 0 0 1 Acetylbromide C2H3BrO 16.7 5.2 10.6 20.5 0.9278 1.661 -1.446 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 4 4 0 0 0 0 1 2.841 8.61 28.729 -1.58 13.968 -0.276 0.237 0.227 0 1 0 0 0 1 Acetylchloride C2H3ClO 16.2 5.8 11.2 20.5 0.7717 1.104 1.387 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 5 5 0 0 0 0 1 2.97 10.15 16.618 5.33 6.642 -0.279 0.224 -0.275 0 1 0 0 0 1 Acrolein C3H4O 15.5 8.6 10 20.4 0.3713 0.839 1.402 26 0 0 0 6 6 0 6 6 20 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 1 0 0 0 2.557 13.39 8.006 -2.5 -0.994 -0.312 0.164 -0.58 0 1 0 0 0 1 Acrylic Acid C3H4O2 16.6 10 6.4 20.4 0.257 1.051 1.419 14 0 0 0 0 0 0 2 2 14 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3.294 14.92 16.978 -2.66 1.181 -0.426 0.311 -0.622 0 1 0 0 0 1 Acrylonitrile C3H3N 16 6.8 12.8 21.6 0.69598 0.801 1.388 11 0 0 0 0 0 0 0 0 11 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3.054 9.65 1.902 -0.16 1.493 -0.223 0.077 -0.669 0 1 0 0 0 1 Acrylylchloride C3H3ClO 16.2 5.4 11.6 20.6 0.9378 -1.101 1.434 8 0 0 0 0 0 0 2 2 8 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 7 0 0 0 0 1 3.499 14.68 -2.046 5.83 -4.155 -0.353 0.146 -0.739 0 1 0 0 0 1 Allyl Acetate C5H8O2 15.7 8 4.5 18.2 0.7355 0.928 1.399 26 11 0 6 0 0 0 0 0 26 26 10 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 2 2 2 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 1 0 1 0 7 7 0 0 0 0 0 4.006 20.27 3.111 3.51 0.549 -0.44 0.301 -0.799 0 1 0 0 0 1 Allyl Alcohol C3H6O 16.2 16.8 10.8 25.7 0.1647 0.854 1.414 27 15 0 6 0 0 0 0 0 21 21 14 6 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 6 6 0 0 0 1 0 3.293 12.69 5.022 3.84 -0.214 -0.391 0.187 -0.238 0 1 0 0 1 1 Allyl Amine C3H7N 15.5 10.6 5.7 19.6 0.1311 0.761 1.421 29 20 0 0 0 0 0 0 0 29 29 13 0 6 0 3 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 6 6 0 0 0 0 0 2.861 10.71 3.988 0.1 4.979 -0.288 0.02 -0.115 0 1 1 0 1 1 Allyl Bromide C3H5Br 16.5 4.9 7.3 18.7 1.5673 1.398 1.46 27 13 8 8 0 0 0 0 0 22 22 13 8 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 2 0 1 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 5 5 0 0 0 0 0 2.795 7.11 21.509 -2.26 13.67 -0.092 0.057 0.307 0 0 0 0 0 1 Allyl Chloride C3H5Cl 17 2.3 6.2 18.2 1.4112 0.938 1.412 34 12 0 7 0 0 0 0 0 27 27 12 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 2 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 0 2.779 9.53 9.515 0.07 10.354 -0.151 0.055 -0.138 0 1 0 0 0 1 Allyl Cyanide C4H5N 16 5.6 14.3 22.2 1.08608 0.834 1.405 29 6 0 0 0 0 0 0 0 29 29 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 5 5 0 0 0 0 0 3.206 12.55 2.367 0.98 0.65 -0.211 0.074 -0.748 0 1 0 0 0 1 Allyl Formate C4H6O2 15.7 8.8 5.4 18.8 0.3454 -0.945 -1.413 59 16 0 10 0 0 0 0 3 56 56 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 2 2 2 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 7 7 0 0 0 0 0 4.117 20.62 -3.351 4.96 -0.304 -0.455 0.284 -0.738 0 1 0 0 0 1 Allyl Isothiocyanate C4H5NS 17 8.5 11.3 22.1 1.2752 1.015 1.527 35 6 0 6 0 0 0 0 0 29 29 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 3 3 3 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 0 3.066 10.18 12.204 -0.64 9.82 -0.171 0.066 -0.373 0 1 0 0 0 1 Allyl Mercaptan C3H6S 16.4 7.9 6.2 19.2 1.1022 0.888 1.47 26 30 0 0 0 0 0 0 0 26 26 16 0 0 0 11 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 0 0 6 6 0 0 0 0 0 2.902 10.44 7.807 0.29 8.97 -0.172 0.015 0.066 0 1 0 0 0 1 Amyl Acetate C7H14O2 15.8 6.1 3.3 17.3 1.7397 0.876 1.403 1 3 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 2 0 1 1 1 1 1 1 1 0 3 1 0 2 5 3 0 5 1 3 0 14 14 0 0 0 0 0 5.464 22.11 6.729 31.77 0.165 -0.462 0.307 -0.585 0 1 0 0 0 1 Anisole C7H8O 17.8 6.9 4.4 19.6 1.6952 0.995 1.514 31 1 1 1 0 0 0 31 31 31 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 3 3 2 0 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 6 6 0 0 0 0 1 4.307 12.27 3.438 -0.82 0.481 -0.404 0.115 -0.87 1 1 0 1 0 1 Benzene C6H6 18.4 2 0 18.5 1.6866 0.879 1.501 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.709 6.61 8.055 -0.76 5.029 -0.141 0.054 -0.31 0 1 0 0 0 1 2-Bromo Propene C3H5Br 16.1 4.9 6 17.9 1.9149 1.362 1.443 11 6 0 0 0 0 0 0 0 11 11 0 0 0 0 6 6 6 6 0 6 0 0 0 0 0 0 0 0 0 0 1 0 2 2 2 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 5 5 0 0 0 0 0 3.068 8.15 18.772 -1.05 12.653 -0.136 0.023 0.169 0 0 0 0 0 1 4-Bromo-1-Butene C4H7Br 16.5 4.5 6 18.1 1.9574 1.33 1.46 25 30 0 0 0 0 0 0 0 25 25 15 0 3 12 12 12 0 0 0 12 0 0 0 0 0 0 0 0 0 0 1 0 2 1 2 0 2 0 0 0 1 2 0 0 0 2 2 0 0 2 2 0 0 2 0 0 0 6 6 0 0 0 0 0 2.919 7.48 15.338 2.22 14.901 -0.094 0.025 0.296 0 0 0 0 0 1 Bromobenzene C6H5Br 19.2 4.1 5.5 20.4 2.4491 1.495 1.558 34 0 0 0 0 0 0 20 34 34 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3.736 7.13 19.296 -1.08 12.839 -0.101 0.043 -0.357 1 0 0 1 0 1 Bromochloromethane CH2BrCl 17.3 3.5 5.7 18.5 1.5776 1.991 1.481 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 5 5 0 0 0 0 1 2.57 4.4 37.951 4.01 35.003 -0.074 0.103 1.028 0 0 0 0 0 1 Bromoform CHBr3 20 7 5 21.8 2.4547 2.894 1.596 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 4 4 0 0 0 0 1 2.441 4.16 40.605 2.76 51.891 -0.111 0.142 1.065 0 0 0 0 0 1 3-Bromopropyne C3H3Br 18.1 5.3 6.5 19.9 1.0145 1.335 1.491 0 5 2 2 0 0 0 0 0 0 0 2 2 2 3 3 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 1 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 0 6 6 0 0 0 0 0 3.542 10.86 18.883 4.99 14.804 -0.211 0.082 0.169 0 1 0 0 0 1 2-Bromothiophene C4H3BrS 20.1 4.6 5.2 21.3 2.5106 1.684 1.585 14 0 0 0 0 0 0 14 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3.596 6.59 29.945 -1.94 20.733 -0.115 0.021 0.073 1 0 0 1 0 1 Butadione C4H6O2 15.7 6.8 5.1 17.9 0.1644 0.979 1.393 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 1 0 4 4 0 0 1 0 0 2.748 12.95 17.659 10.67 5.613 -0.179 0.084 -0.24 0 1 0 0 0 1 1-Butanethiol C4H10S 16.3 4.5 5.3 17.7 1.7163 0.842 1.44 0 44 0 0 0 0 0 0 0 0 0 0 0 0 12 12 12 5 5 29 12 12 43 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 2 0 0 2 4 3 0 4 1 3 0 11 11 1 0 0 0 0 4.076 9.95 3.127 21.48 8.068 -0.217 -0.03 0.382 0 1 1 0 0 1 1-Butanol C4H10O 16 15.8 5.7 23.2 0.7788 0.81 1.397 0 30 3 2 0 0 0 0 0 0 0 0 2 3 0 1 1 1 1 23 1 7 33 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 0 1 1 2 1 1 0 1 3 2 0 3 1 2 0 12 12 0 0 0 1 0 4.574 13.88 -0.579 25.23 0.603 -0.406 0.077 -0.026 0 1 1 0 1 1 2-Butanol C4H10O 15.8 14.5 5.7 22.2 0.7772 0.806 1.395 0 20 4 4 0 0 0 0 0 0 0 1 4 4 0 1 1 1 1 12 1 4 21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 0 1 2 1 0 1 3 2 0 2 1 2 0 13 13 0 0 0 1 0 4.596 13.04 1.291 28.7 0.796 -0.382 0.044 0.053 0 1 1 0 1 1 n-Butyl Acetate C6H12O2 15.8 6.3 3.7 17.4 1.3496 0.882 1.392 3 19 1 3 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 12 1 5 19 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 0 1 1 0 1 4 3 0 4 1 3 0 12 12 0 0 0 0 0 5.239 21.95 6.552 28.52 0.153 -0.48 0.316 -0.559 0 1 0 0 0 1 sec-Butyl Acetate C6H12O2 15 7.6 3.7 17.2 1.348 0.872 1.388 1 5 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 3 1 2 4 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 0 0 0 1 0 0 1 4 3 0 3 0 3 0 13 13 0 0 0 0 0 5.217 19.82 7.858 26 -1.392 -0.466 0.126 -0.409 0 1 0 0 0 1 n-Butyl Acrylate C7H12O2 15.6 4.9 6.2 17.5 1.5157 0.894 1.416 21 29 0 3 0 0 0 1 1 18 17 3 3 0 0 0 0 0 0 20 2 10 31 0 0 0 0 0 1 0 0 0 0 2 2 2 0 1 0 1 1 1 1 1 1 1 0 1 1 0 1 3 2 0 3 1 2 0 12 12 0 0 0 0 0 5.126 20.82 5.401 19.74 0.293 -0.457 0.295 -0.739 0 1 0 0 0 1 Butyleneoxide C4H8O 16.3 5.9 6.2 18.4 0.7952 0.824 1.381 0 39 0 0 0 0 0 0 0 0 0 0 0 0 20 20 9 3 3 13 5 12 24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 0 0 2 1 2 2 1 2 2 1 1 0 2 0 8 8 0 0 0 0 0 3.409 8.82 3.915 17.37 6.09 -0.342 0.089 0.114 0 1 0 1 0 1 Butyronitrile C4H7N 15.3 5.1 12.4 20.3 1.31008 0.791 1.382 0 15 0 0 0 0 0 0 0 0 0 0 0 0 0 6 6 6 6 3 6 6 9 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 3 1 3 0 9 9 0 0 0 0 0 4.031 13.19 -0.255 17.7 -0.692 -0.195 0.038 -0.556 0 1 0 0 0 1 Butyrylchloride C4H7ClO 16.8 4.8 9.4 19.8 1.5519 -1.015 1.412 0 21 0 0 0 0 0 0 0 0 0 0 0 0 6 6 2 0 0 5 3 12 20 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 2 2 1 2 1 2 0 9 9 0 0 0 0 0 4.238 20.45 6.314 16.12 7.602 -0.354 0.201 -0.635 0 1 0 0 0 1 Carbon Disulfide CS2 20.2 0.6 0 20.2 1.0181 1.256 1.624 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 1 0 0 2.294 10.2 28.922 0.34 19.702 -0.142 0.081 0.216 0 1 0 0 0 1 Carbon Tetrachloride CCl4 17.8 0.6 0 17.8 2.5529 1.594 1.457 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.401 5.17 34.305 0.74 28.341 -0.115 0.151 0.96 0 0 0 0 0 1 Chloro Acetaldehyde C2H3ClO 16.2 9 14 23.2 0.4241 1.2 1.42 5 2 0 2 3 3 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 3 3 0 1 0 0 0 2.198 12.13 19.668 2.8 14.504 -0.295 0.136 0.098 0 1 0 0 0 1 2-Chloro Propene C3H5Cl 15.5 2.2 6.7 17 1.7588 0.895 1.392 3 6 0 0 0 0 0 0 0 3 3 3 0 0 0 0 3 3 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 1 0 7 7 0 0 0 0 0 3.383 9.32 4.317 5.55 4.731 -0.136 0.014 -0.389 0 0 0 0 0 1 3-Chloro-2-Methyl Propene C4H7Cl 16.2 2 5.6 17.3 1.8013 0.927 1.429 14 18 0 3 0 0 0 0 0 11 11 14 3 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 1 1 1 1 0 1 0 7 7 0 0 0 0 1 3.295 10.37 8.004 6.86 9.356 -0.161 0.057 -0.046 0 0 0 0 0 1 Chloroacetone C3H5ClO 16.8 5.5 9.6 20.1 0.8142 1.162 -1.422 1 3 0 1 0 0 0 0 0 0 0 1 1 0 0 2 2 2 2 0 2 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 5 5 0 0 1 0 1 2.848 12.31 19.874 7.2 12.012 -0.254 0.155 0.027 0 1 0 0 0 1 Chloroacetonitrile C2H2ClN 17.4 2 13.6 22.2 0.74878 1.185 -1.428 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 1 0 5 5 0 0 0 0 1 3.096 6.87 13.358 3.43 9.622 -0.164 0.165 0.152 0 1 0 0 0 1 Chloroacetylchloride C2H2Cl2O 17.5 5.5 9.2 20.5 0.9906 1.434 1.454 1 1 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 4 4 0 0 0 0 1 2.761 10.66 28.865 -0.3 16.536 -0.322 0.256 0.118 0 1 0 0 0 1 Chlorobenzene C6H5Cl 19 2 4.3 19.6 2.34 1.106 1.525 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 3.548 7.14 11.133 -0.52 4.357 -0.102 0.061 -0.677 1 0 0 1 0 1 1-Chlorobutane C4H9Cl 16.2 2 5.5 17.2 2.0253 0.886 1.4 0 20 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 15 0 7 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 1 1 1 1 3 2 0 3 1 2 0 12 12 0 0 0 0 0 4.269 10.31 7.736 29.3 5.765 -0.205 0.02 0.136 0 0 1 0 0 1 Chloroform CHCl3 17.8 5.7 3.1 18.9 1.9864 1.483 1.443 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.69 6.57 26.897 -0.33 22.966 -0.175 0.143 0.716 0 0 0 0 0 1 3-Chloropropyne C3H3Cl 16.7 2.3 7.4 18.4 0.8584 1.03 1.432 3 6 0 3 0 0 0 0 0 0 0 3 3 0 3 3 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 1 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 6 6 0 0 0 0 0 3.531 10 10.718 7.58 9.289 -0.205 0.062 -0.087 0 0 0 0 0 1 Cyclohexane C6H12 16.8 0.2 0 16.8 2.3406 0.779 1.424 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 0 0 6 6 0 0 0 0 1 2.834 7.54 5.574 11.45 3.947 -0.16 0.021 -0.017 0 1 0 0 0 1 Cyclohexanone C6H10O 17.8 5.1 8.4 20.3 1.5196 0.947 1.451 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 2 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 3 1 1 3 2 2 0 3 0 1 0 11 11 0 0 1 0 0 4.269 13.44 8.641 29.27 -0.092 -0.267 0.115 -0.284 0 1 0 1 0 1 Cyclohexylamine C6H13N 17.2 6.5 3.1 18.6 1.2778 0.867 1.457 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 3 1 1 3 3 2 1 3 0 2 0 12 12 0 0 0 0 0 4.219 10.23 7.083 29.86 3.738 -0.115 -0.002 0.097 0 0 0 0 1 1 Cyclohexylchloride C6H11Cl 17.3 2 5.5 18.3 2.5579 1 1.462 1 7 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 4 1 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 1 2 3 1 0 3 3 2 0 3 0 2 0 13 13 0 0 0 0 0 4.65 13.11 6.945 28.17 6.643 -0.219 0.04 0.216 0 0 1 0 0 1 Cyclopentane C5H10 16.4 1.8 0 16.5 1.9505 0.745 1.404 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 1 0 7 7 0 0 0 0 1 2.936 7.82 4.832 12.91 3.573 -0.147 0.01 -0.001 0 1 0 0 0 1 Cyclopentanone C5H8O 17.9 5.2 11.9 22.1 1.1295 0.951 1.436 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 2 0 0 1 1 1 0 2 0 1 0 8 8 0 0 1 0 0 3.837 12.48 9.475 23.2 0.685 -0.248 0.117 -0.286 0 1 0 0 0 1 Cyclopentene C5H8 16.7 1.7 3.8 17.2 1.7265 0.772 1.419 12 61 0 0 0 0 0 0 0 12 12 0 0 0 4 26 31 31 31 3 48 29 29 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 0 0 0 1 2 0 0 1 2 1 0 2 0 1 0 8 8 0 0 0 0 0 3.251 9.33 0.713 7.31 0.92 -0.105 -0.034 0.232 0 1 0 1 0 1 Cyclopropylmethylketone C5H8O 17 4.6 11.1 20.8 0.9854 0.849 -1.44 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 7 4 13 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 3 2 0 2 1 2 0 10 10 0 0 1 0 0 4.364 14.74 5.367 21.91 0.632 -0.315 0.147 -0.311 0 1 0 0 0 1 Diallyl Amine C6H11N 15.6 6.7 4.5 17.6 0.948 0.787 1.44 3 4 0 0 0 0 0 0 0 3 3 2 0 1 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 2 1 2 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 6 6 0 0 0 0 1 3.275 10.78 8.117 1.31 1.938 -0.266 0.073 -0.142 0 1 0 0 1 1 Diallyl Ether C6H10O 15.3 5.3 4.4 16.8 1.375 0.803 1.416 39 16 3 6 0 0 0 0 0 33 33 16 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 2 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 6 0 0 0 1 0 2.971 9.36 9.16 -0.55 7.895 -0.292 0.08 -0.005 0 1 0 0 0 1 Dibromomethane CH2Br2 19 7 6.4 21.2 1.7337 2.497 1.539 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 4 4 0 0 0 0 1 2.505 4.8 39.759 4.33 42.102 -0.094 0.13 1.065 0 0 0 0 0 1 1,1-Dibromoethane C2H4Br2 18.5 8.8 8.4 22.1 2.1222 2.056 1.51 4 3 0 0 0 0 0 0 0 4 4 0 0 0 3 3 3 3 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 2 0 0 2 1 0 0 2 0 0 0 6 6 0 0 0 0 1 2.834 4.82 36.119 6.62 35.71 -0.104 0.098 0.995 0 0 0 0 0 1 Di-n-Butyl Ether C8H18O 15.2 3.2 3.4 15.9 2.6032 0.764 1.397 0 36 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 27 0 10 41 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 0 0 1 1 0 0 1 3 2 0 3 1 2 0 12 12 0 0 0 1 0 4.473 12.49 1.275 29.5 1.442 -0.362 0.046 0.005 0 1 0 0 0 1 2,3-Dichloropropene C3H4Cl2 16.2 3 7.8 18.2 1.9777 1.204 1.457 13 4 0 4 0 0 0 0 0 9 9 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 2 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.92 7.46 15.573 0.19 14.598 -0.162 0.11 -0.29 0 1 0 0 0 1 Dichloroacetaldehyde C2H2Cl2O 16.7 7.5 9.1 20.4 0.989 1.433 1.463 4 0 0 0 2 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 4 4 0 1 0 0 1 2.801 11.91 28.017 3.81 17.659 -0.344 0.282 0.246 0 1 0 0 0 1 1,1-Dichloroacetone C3H4Cl2O 17.1 5.4 7.6 19.5 1.3791 1.305 -1.446 1 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 1 0 1 0 1 0 5 5 0 0 1 0 1 3.139 14.46 22.324 8.4 16.812 -0.301 0.186 0.131 0 1 0 0 0 1 Dichloroacetonitrile C2HCl2N 17.4 6.4 9.4 20.8 1.31368 1.369 -1.449 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 4 4 0 0 0 0 1 2.859 6.16 20.224 -2.59 18.726 -0.214 0.203 0.415 0 1 0 0 0 1 1,1-Dichloroethane C2H4Cl2 16.5 3 7.8 18.5 1.81 1.176 1.414 4 2 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 7 7 0 0 0 0 1 3.365 8.72 18.071 10.13 11.756 -0.213 0.091 0.421 0 1 0 0 0 1 HCFC 141b C2H3Cl2F 15.7 1 4 16.2 2.1072 1.25 1.36 0 3 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 3 3 0 3 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 4 4 0 0 0 0 1 2.84 6.08 15.939 2.58 17.751 -0.142 0.18 0.324 0 0 0 0 0 1 1,1-Dichloropropene C3H4Cl2 16.9 2.9 6.7 18.4 2.3253 -1.186 -1.452 4 2 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 7 7 0 0 0 0 1 3.603 11.09 0.173 7.35 1.459 -0.229 0.165 -0.511 0 1 0 0 0 1 1,1-Diethoxy Ethane C6H14O2 15 4 3.4 15.9 1.4054 0.831 1.368 4 19 7 6 0 0 0 0 0 4 4 4 4 11 0 0 0 0 0 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 2 2 0 2 1 2 0 11 11 0 0 0 0 0 4.017 14.81 0.45 19.72 1.261 -0.341 0.127 -0.025 0 1 0 0 0 1 Diethyl Amine C4H11N 14.9 6.1 2.3 16.3 0.6158 0.699 1.383 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 1 1 0 1 1 1 0 8 8 0 0 0 0 1 3.175 9.3 13.489 12.12 7.533 -0.258 0.023 0.417 0 1 1 0 1 1 Diethyl Carbonate C5H10O3 15.1 3.5 6.3 16.7 1.1794 0.975 1.383 4 7 0 4 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 0 1 0 0 1 1 0 1 1 1 0 8 8 0 0 0 0 0 3.685 15.15 2.091 11 0.104 -0.419 0.362 -0.643 0 1 0 0 0 1 Diethyl Ether C4H10O 14.5 4.6 2.9 15.5 1.0428 0.713 1.35 0 7 1 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 1 1 1 0 10 10 0 0 0 0 0 3.84 13.64 3.203 12.42 0 -0.389 0.076 -0.021 0 1 1 0 0 1 Diethyl Ketone C5H10O 15.8 4.7 7.6 18.2 1.3755 0.814 1.39 0 9 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 4 4 0 4 0 5 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 2 1 0 1 0 1 0 8 8 0 0 1 0 0 3.73 13.13 4.958 20.09 0.334 -0.293 0.121 -0.293 0 1 0 0 0 1 Diethyl Sulfide C4H10S 16.8 2 3.1 17.2 1.7594 0.836 1.44 0 7 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 3 4 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 2 1 2 0 8 8 0 0 0 0 0 3.298 9.27 5.1 13.97 7.79 -0.174 0.001 0.168 0 1 0 0 0 1 Diethyldisulfide C4H10S2 17 5.7 6.7 19.1 2.4076 0.988 1.505 0 11 0 0 0 0 0 0 0 0 0 0 0 0 7 7 5 0 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 1 2 1 0 2 1 1 0 7 7 0 0 0 0 0 3.073 6.87 10.816 11.53 12.724 -0.167 0.006 0.459 0 1 0 0 0 1 Dihydropyran C5H8O 17.5 5.7 5.5 19.2 1.3105 0.907 1.438 31 56 7 25 0 0 0 0 0 20 20 25 11 0 0 0 0 0 0 0 31 25 25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 0 2 2 0 2 0 2 0 8 8 0 0 0 0 0 3.507 12.87 0.881 15.48 0.435 -0.396 0.061 0.062 0 1 0 1 0 1 Diketene C4H4O2 16.2 7.8 14.5 23.1 0.447 1.05 1.438 12 14 4 8 0 0 0 0 0 7 7 14 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 1 0 0 0 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 3.07 13.52 8.899 5.83 0.679 -0.436 0.299 -0.753 0 1 0 0 0 1 Dimethyl Acetylene C4H6 15.1 7.6 3.4 17.2 1.0296 0.691 1.389 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 7 7 0 0 0 0 1 3.44 10.72 5.112 13.55 5.074 -0.208 0.068 -0.22 0 1 0 0 0 1 Dimethyl Carbonate C3H6O3 15.5 9.7 8.6 20.2 0.3992 1.069 1.368 0 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 6 6 0 0 0 0 1 3.169 11.97 6.981 3.57 -0.09 -0.367 0.307 -0.597 0 1 0 0 0 1 Dimethyl Cellosolve C4H10O2 15.4 6 6 17.6 0.2792 0.867 1.378 0 4 2 0 0 0 0 0 0 0 0 0 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 7 7 0 0 0 0 1 3.388 11.95 3.677 4.25 1.372 -0.37 0.113 -0.13 0 1 0 0 0 1 Dimethyl Ethanolamine C4H11NO 16.1 14 9.2 23.2 -0.4597 0.882 1.428 0 10 6 4 0 0 0 0 0 0 0 0 4 6 2 4 4 3 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 3 3 0 2 2 3 0 3 1 0 0 0 0 0 0 0 0 9 9 0 0 0 1 1 3.699 12.83 0.075 5.57 -1.71 -0.408 0.075 -0.13 0 1 1 0 1 1 Dimethyl Formamide C3H7NO 17.4 11.3 13.7 24.9 -0.2956 0.944 1.427 1 4 0 0 0 0 0 0 1 0 0 0 0 0 4 4 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 2 2 0 0 2 2 0 0 2 0 0 0 8 8 0 0 0 0 1 3.526 11.04 10.575 11.37 3.754 -0.273 0.208 -0.347 0 1 0 0 0 1 1,1-Dimethyl Hydrazine C2H8N2 15.3 11 5.9 19.7 -0.5783 0.791 1.407 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 5 5 0 0 0 0 0 2.841 10.69 6.173 1.73 1.537 -0.261 0.035 -0.04 0 1 0 0 1 1 Dimethyl Sulfide C2H6S 16.1 7.4 6.4 18.8 0.9792 0.848 1.432 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 6 6 0 0 0 0 1 2.885 8.25 6.376 10.61 4.048 -0.172 0.041 0.037 0 1 0 0 0 1 1,4-Dioxane C4H8O2 17.5 9 1.8 19.8 0.0332 1.029 1.42 0 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 6 6 0 0 0 0 1 2.963 8.6 11.362 2.52 6.657 -0.274 0.12 0.083 0 1 0 0 0 1 1,3-Dioxolane C3H6O2 18.1 9.3 6.6 21.4 -0.0093 1.066 1.399 1 2 1 1 0 0 0 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 6 6 0 0 0 0 1 3.245 11.25 9.06 3.73 4.471 -0.367 0.17 -0.024 0 1 0 0 0 1 Dipropyl Amine C6H15N 15.3 4.1 1.4 15.9 1.396 0.738 1.402 0 21 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 1 1 14 5 11 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 0 2 2 1 2 1 2 0 8 8 0 0 0 0 0 3.417 9.13 9.85 17.74 9.745 -0.301 0.033 0.501 0 1 0 0 0 1 Epichlorohydrin C3H5ClO 17.5 7.6 7.6 20.5 0.624 1.174 1.436 0 26 2 1 0 0 0 0 0 0 0 0 1 14 8 22 4 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 3 3 0 0 0 3 0 3 3 0 0 0 1 0 0 0 0 7 7 0 0 0 0 0 2.94 6.71 11.198 3.31 8.052 -0.355 0.085 0.213 0 1 1 1 1 1 1,2-Ethane Dithiol C2H6S2 17.9 8.7 7.2 21.2 0.846 1.118 1.556 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 6 6 0 0 0 0 1 2.824 7.15 19.801 6.44 13.619 -0.149 0.039 0.636 0 1 0 0 0 1 Ethanethiol C2H6S 15.7 7.1 6.5 18.4 0.9361 0.833 1.428 0 18 0 0 0 0 0 0 0 0 0 0 0 0 8 9 9 4 4 9 7 0 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 2 0 2 0 8 8 1 0 0 0 0 3.168 9.86 2.109 12.15 2.403 -0.266 0.008 0.336 0 1 0 0 0 1 Ethanol C2H6O 15.8 19.4 8.8 26.5 -0.0014 0.789 1.359 0 12 4 3 0 0 0 0 0 0 0 1 3 4 2 2 2 0 0 4 2 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 1 1 1 1 0 1 0 7 7 0 0 0 0 0 3.305 11.55 1.941 9.48 0.978 -0.328 0.083 0.02 0 1 0 0 0 1 Ethyl Acetate C4H8O2 15.8 7.2 5.3 18.2 0.5694 0.902 1.37 4 8 0 4 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 2 1 0 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 2 2 0 2 1 2 0 8 8 0 0 0 0 0 4.131 20.29 8.494 13.38 0.75 -0.461 0.317 -0.604 0 1 0 0 0 1 Ethyl Acrylate C5H8O2 15.5 5.5 7.1 17.9 0.7355 0.924 1.403 16 7 0 4 0 0 0 0 0 12 12 4 4 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 1 0 0 0 0 2 2 2 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 1 1 0 1 1 1 0 7 7 0 0 0 0 0 4.11 18.59 6.663 4.74 1.301 -0.419 0.33 -0.795 0 1 0 0 0 1 Ethyl Benzene C8H10 17.8 1.4 0.6 17.9 2.249 0.867 1.493 2 2 0 0 0 0 0 2 2 2 0 0 0 0 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 3 3 3 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 0 2 1 1 0 9 9 0 0 0 0 0 4.177 9.63 12.748 9.06 6.109 -0.116 0.032 -0.271 1 0 0 0 0 1 Ethyl Bromide C2H5Br 16.5 2.3 8.4 18.7 1.4012 1.461 1.421 0 9 2 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 2 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 2 0 1 0 8 8 0 0 0 0 1 3.112 7.54 24.153 13.5 12.688 -0.147 0.086 0.688 0 1 0 0 0 1 Ethyl Butyl Ketone C7H14O 16.2 4.1 5 17.4 2.1557 0.819 1.409 0 28 0 0 0 0 0 0 0 0 0 0 0 0 5 9 9 7 7 16 9 7 25 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 4 1 1 2 5 4 0 4 1 4 0 14 14 0 0 1 0 0 5.286 17.85 4.55 33.06 1.406 -0.328 0.078 -0.331 0 1 0 0 0 1 Ethyl Chloroformate C3H5ClO2 16.4 8 11 21.3 1.3817 1.127 1.395 4 7 0 4 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 1 1 0 1 1 1 0 7 7 0 0 0 0 0 3.658 12.1 13.11 10.11 8.043 -0.374 0.354 -0.395 0 1 0 0 0 1 Ethyl Formate C3H6O2 15.5 8.4 8.4 19.5 0.1793 0.917 1.358 13 14 0 8 0 0 0 0 5 0 0 8 8 0 0 0 0 0 0 6 0 0 6 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 1 1 0 1 1 1 0 6 6 0 0 0 0 0 3.472 15.89 7.22 8.96 1.293 -0.435 0.305 -0.584 0 1 0 0 0 1 Ethyl Isocyanate C3H5NO 15.4 2.5 12 19.7 0.3421 -0.896 1.381 0 10 0 0 0 0 0 0 0 0 0 0 0 6 0 3 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 1 1 0 2 1 1 0 9 9 0 0 0 0 0 3.62 10.66 -4.203 15.38 -1.375 -0.227 0.061 -0.308 0 1 0 0 0 1 Ethyl Lactate C5H10O3 16 12.5 7.6 21.7 -0.0697 1.027 1.412 8 14 0 8 0 0 0 0 0 0 0 8 8 0 0 1 0 0 0 5 0 0 5 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 1 2 1 1 0 2 0 0 2 2 0 2 1 2 0 11 11 0 0 0 1 0 4.664 20.22 6.128 17.01 1.614 -0.463 0.336 -0.491 0 1 0 0 1 1 Ethyl Methacrylate C6H10O2 15.8 7.5 7.2 18.9 1.1256 0.908 1.412 15 11 0 4 0 0 0 0 0 11 11 4 4 0 0 0 0 0 0 3 4 4 7 0 0 0 0 0 1 0 0 0 0 2 1 2 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 2 2 0 2 1 2 0 10 10 0 0 0 0 0 4.449 18.15 10.742 14.58 1.617 -0.405 0.309 -0.671 0 1 0 0 0 1 Ethyl Methyl Sulfide C3H8S 17.1 2.5 4.8 17.9 1.3693 0.842 1.437 0 13 0 0 0 0 0 0 0 0 0 0 0 0 5 7 8 5 5 3 8 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 3 3 0 3 2 2 0 8 8 1 0 0 0 0 3.311 9.87 9.017 13.62 7.315 -0.233 0.009 0.662 0 1 0 0 0 1 Ethyl Thiocyanate C3H5NS 15.4 5.4 13.4 21.1 1.22058 -1.02 -1.477 0 10 0 0 0 0 0 0 0 0 0 0 0 0 4 7 0 0 0 3 0 2 3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 0 2 1 1 0 9 9 1 0 0 0 0 3.921 12.99 0.732 13.59 7.894 -0.279 0.102 -0.264 0 1 0 0 0 1 Ethyl Vinylether C4H8O 14.9 5.6 4.9 16.7 1.1664 0.749 1.373 12 15 8 12 0 0 0 0 0 4 4 8 12 4 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 1 1 1 1 0 1 1 0 0 1 0 0 1 1 0 1 1 1 0 8 8 0 0 0 0 0 3.626 14.99 -0.451 8.48 -0.49 -0.492 0.147 -0.545 0 1 0 0 0 1 2-Ethyl-1-Butanol C6H14O 15.8 13.5 4.3 21.2 1.4149 0.833 1.421 0 3 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 1 1 1 1 2 1 0 2 2 0 2 1 2 0 13 13 0 0 0 1 0 4.633 15.68 1.475 25.05 0.279 -0.395 0.066 -0.03 0 1 1 0 1 1 Ethylene Chlorohydrin C2H5ClO 16.9 17.2 8.8 25.7 0.2175 1.196 1.442 2 21 20 19 0 0 0 0 0 0 0 10 19 18 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 0 1 1 2 0 2 1 0 0 0 0 0 0 0 0 6 6 0 0 0 1 1 2.746 7.08 10.572 5.32 7.617 -0.386 0.096 0.107 0 1 1 0 1 1 Ethylene Dibromide C2H4Br2 19.2 8.6 3.5 21.3 1.7762 2.179 1.536 0 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 4 4 0 0 0 0 1 2.5 4.14 39.012 4.26 36.459 -0.087 0.086 1.042 0 0 0 0 0 1 Ethylene Dichloride C2H4Cl2 18 4.1 7.4 19.9 1.464 1.253 1.442 0 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 2.599 5.51 23.013 2.11 16.058 -0.168 0.073 0.66 0 1 0 0 1 1 Ethylene Glycol Methyl t-Butyl Ether C7H16O2 15.3 8.2 5.1 18.1 1.4479 0.84 1.399 0 5 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 4 2 2 2 2 2 1 2 0 1 1 1 0 1 0 0 0 12 12 0 0 0 0 0 5.027 19.15 -0.587 21.25 -0.048 -0.417 0.104 -0.25 0 1 1 0 1 1 Ethylene Glycol Mono t-Butyl Ether C6H14O2 15.3 10.8 6.1 19.7 0.7938 0.9 -1.404 0 13 4 4 0 0 0 0 0 0 0 0 4 9 3 3 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 3 2 1 2 2 2 1 2 0 1 1 1 0 1 0 0 0 11 11 0 0 0 0 0 4.595 16.99 -0.014 15.33 0.145 -0.41 0.143 -0.125 0 1 1 0 1 1 Ethylene Glycol Monoethyl Ether C4H10O2 15.9 14 7.2 22.4 0.0152 0.93 1.406 0 25 18 11 0 0 0 0 0 0 0 0 11 21 1 1 1 0 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 2 3 2 2 2 1 1 0 2 0 0 1 1 0 1 1 1 0 11 11 0 0 0 1 0 4.286 16.3 -1.028 9.67 0.244 -0.403 0.102 -0.04 0 1 1 0 1 1 Ethylene Glycol Monoethyl Ether Acetate C6H12O3 15.9 10.6 4.7 19.7 0.586 0.975 1.402 6 19 8 12 0 0 0 0 0 0 0 6 12 9 0 0 0 0 0 2 1 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 3 3 3 3 2 2 1 0 0 3 0 0 2 2 0 2 1 2 0 12 12 0 0 0 0 0 4.891 21.78 1.869 14.49 0.027 -0.459 0.302 -0.465 0 1 0 0 0 1 Ethylene Glycol Monoisobutyl Ether C6H14O2 15.2 9.6 4.9 18.6 0.6513 0.89 -1.415 0 21 13 6 0 0 0 0 0 0 0 0 6 17 1 3 1 1 1 0 4 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 2 1 1 1 1 1 1 1 0 1 2 1 0 2 0 1 0 12 12 0 0 0 1 0 4.831 16.4 -1.551 15.23 0.421 -0.404 0.114 -0.096 0 1 1 0 1 1 Ethylene Glycol Monoisopropyl Ether C5H12O2 16 13.1 8.2 22.2 0.4037 0.903 1.41 0 16 10 5 0 0 0 0 0 0 0 0 5 13 1 1 1 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 3 1 2 1 1 1 1 2 0 0 1 1 0 1 0 1 0 12 12 0 0 0 1 0 4.73 17.58 -2.018 15.05 -0.372 -0.419 0.085 -0.053 0 1 1 0 1 1 Ethylene Glycol Monomethyl Ether C3H8O2 16 15 8.2 23.4 -0.3749 0.965 1.4 0 21 14 10 0 0 0 0 0 0 0 0 10 21 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 3 2 1 2 2 2 0 2 0 0 0 0 0 0 0 0 0 9 9 0 0 0 1 0 3.88 14.28 1.339 8.63 0.181 -0.389 0.104 -0.043 0 1 1 0 1 1 Ethylene Glycol Monomethyl Ether Acetate C5H10O3 15.9 11.6 5.5 20.4 0.1959 1.009 1.402 7 16 7 10 0 0 0 0 0 0 0 7 10 8 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 2 3 2 1 2 2 1 0 2 0 0 1 1 0 1 0 1 0 9 9 0 0 0 0 0 4.369 20.56 2.306 9.85 0.276 -0.481 0.32 -0.523 0 1 0 0 0 1 Ethylene Sulfide C2H4S 19.3 6.5 9 22.3 0.7332 1.007 1.487 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 6 6 0 0 0 0 1 2.857 7.92 12.494 8.15 10.086 -0.149 0.043 0.156 0 1 0 0 0 1 Ethylenediamine C2H8N2 16.6 17 8.8 25.3 -1.0962 0.893 1.457 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 2.672 6.24 9.878 3.31 6.693 -0.192 0.032 0.101 0 1 1 0 1 1 Fluorobenzene C6H5F 18.1 2 6.1 19.2 1.8257 1.019 1.463 36 0 0 0 0 0 0 30 36 36 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 3.875 11.05 12.566 -1.72 1.484 -0.282 0.116 -0.702 1 1 0 1 0 1 Formic Acid CH2O2 14.6 14 10 22.6 -0.2992 1.214 1.369 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.612 9.73 23.807 4.57 9.964 -0.378 0.261 0.159 0 1 0 0 0 1 Furan C4H4O 17 5.3 1.8 17.9 1.2796 0.935 1.419 8 0 0 0 0 0 0 0 3 8 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 2.831 7.92 8.439 -1.01 4.062 -0.27 0.07 -0.325 0 1 0 0 0 1 Heptane C7H16 15.3 0 0 15.3 2.9767 0.684 1.385 0 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 1 3 0 0 2 4 2 0 4 1 2 0 13 13 0 0 0 0 0 4.578 10.86 1.394 32.82 0.267 -0.125 -0.044 0.023 0 0 0 0 0 0 1-Heptene C7H14 15 2.6 1.1 15.3 2.7527 0.697 1.397 3 4 0 0 0 0 0 0 0 3 3 2 0 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 2 1 0 0 3 0 0 0 1 2 0 0 0 2 4 0 0 3 5 2 0 5 1 2 0 14 14 0 0 0 0 0 5.234 13.37 0.602 34.09 1.801 -0.123 -0.003 -0.218 0 0 0 0 0 0 Hexane C6H14 14.9 0 0 14.9 2.5866 0.659 1.372 0 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 2 0 0 1 3 2 0 3 1 2 0 11 11 0 0 0 0 0 4.181 10.62 0.422 29.18 -0.039 -0.176 -0.033 -0.009 0 0 0 0 0 1 1-Hexene C6H12 14.7 3 1.1 15 2.3626 0.673 1.385 3 5 0 0 0 0 0 0 0 3 3 2 0 0 0 0 0 0 0 2 1 0 3 0 0 0 0 0 0 0 0 0 0 2 1 0 0 2 0 0 0 0 2 0 0 0 2 3 0 0 2 4 2 0 4 1 2 0 14 14 0 0 0 0 0 5.043 13.1 -1.298 30.9 1.051 -0.162 -0.018 -0.222 0 0 0 0 0 1 Isoamyl Acetate C7H14O2 15.3 7 3.1 17.1 1.5956 0.876 1.398 3 14 0 3 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 7 2 8 11 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 1 1 2 2 0 1 1 1 3 1 0 2 4 3 0 4 0 3 0 12 12 0 0 0 0 0 5.153 21.32 6.04 27.88 -0.662 -0.475 0.317 -0.693 0 1 0 0 0 1 Isobutyl Acetate C6H12O2 15.1 6.3 3.7 16.8 1.2055 0.874 1.388 0 8 2 2 0 0 0 0 0 0 0 2 2 2 0 0 0 0 0 0 6 2 4 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 3 3 0 3 0 2 0 10 10 0 0 0 0 0 4.65 20.95 6.287 20.99 -0.418 -0.488 0.345 -0.646 0 1 0 0 0 1 Isobutyl Isobutyrate C8H16O2 15.1 5.8 2.8 16.4 1.8416 0.855 1.399 0 16 2 2 0 0 0 0 0 0 0 2 2 2 7 7 7 3 3 1 9 3 8 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 2 1 1 0 0 1 2 0 0 2 3 2 0 3 0 1 0 11 11 0 0 0 0 0 4.382 16.78 5.799 19.02 1.543 -0.424 0.274 -0.26 0 1 0 0 0 1 Isobutyleneoxide C4H8O 16.1 5.8 4.8 17.8 0.7952 0.811 1.37 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 2 2 2 1 2 2 0 1 1 2 1 0 1 0 9 9 0 0 0 0 0 3.919 14.72 0.765 16.61 0.783 -0.361 0.091 -0.087 0 1 0 0 0 1 Isopentane C5H12 13.8 0 0 13.8 2.0524 0.62 1.351 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 1 3 0 0 2 4 2 0 4 1 2 0 13 13 0 0 0 0 0 4.58 11.15 0.243 32.54 0.296 -0.12 -0.047 -0.04 0 0 0 0 0 0 Isoprene C5H8 14.7 4.1 1.4 15.3 1.7485 0.681 1.419 23 15 0 0 0 0 0 2 2 23 22 12 0 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 0 1 0 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 6 6 0 0 0 0 0 3.576 10.72 6.624 3.84 5.831 -0.166 0.073 -0.423 0 1 0 0 0 1 Isopropyl Acetate C5H10O2 14.9 8.2 4.5 17.6 0.9579 0.872 1.375 3 8 0 0 0 0 0 0 0 3 3 3 0 0 0 0 0 0 0 2 1 0 4 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 2 2 0 2 0 2 0 10 10 0 0 0 0 0 4.279 18.69 5.464 19.96 0.46 -0.456 0.327 -0.529 0 1 0 0 0 1 Isopropyl Amine C3H9N 14.8 6.6 4.4 16.8 0.3535 0.689 1.371 0 11 0 0 0 0 0 0 0 0 0 0 0 1 1 5 0 0 0 1 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 2 1 1 1 1 1 0 1 0 1 0 9 9 0 0 0 0 0 3.37 8.11 1.875 18.33 -0.978 -0.212 -0.028 0.01 0 1 1 0 1 1 Isopropyl Chloride C3H7Cl 15 2 8 17.1 1.6336 0.855 1.375 0 7 5 5 0 0 0 0 0 0 0 0 5 5 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 7 7 0 0 0 0 0 3.052 8.67 5.574 13.02 5.448 -0.246 0.036 0.122 0 0 0 0 0 1 Isopropyl Ether C6H14O 15.1 3.2 3.2 15.8 1.8198 0.724 1.366 0 7 5 5 0 0 0 0 0 0 0 0 5 5 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 1 0 1 0 9 9 0 0 0 0 0 3.53 11.22 0.342 15.32 -0.632 -0.36 0.072 -0.063 0 1 0 1 0 1 Isovaleraldehyde C5H10O 14.7 5 9.5 18.2 1.2314 0.78 1.39 3 16 0 0 3 3 0 0 0 0 0 0 0 0 0 13 16 16 16 0 16 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 2 1 1 0 2 2 1 2 0 2 0 9 9 0 1 0 0 0 3.855 17.93 4.42 18.39 -0.514 -0.311 0.112 -0.293 0 1 0 0 0 1 Isoxazole C3H3NO 18.8 11.2 13.4 25.7 0.6746 1.078 1.425 10 0 0 0 0 0 7 0 6 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 0 3.144 11.37 13.054 2.57 0.246 -0.313 0.14 -0.584 1 1 0 1 0 1 Methacrylaldehyde C4H6O 15 7.1 10.3 19.5 0.7614 0.84 1.417 10 8 0 0 1 1 0 0 0 9 9 0 0 0 0 0 0 0 0 0 8 8 8 0 0 0 1 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 5 5 0 1 0 0 0 3.158 15.18 9.781 4.06 0.905 -0.307 0.162 -0.622 0 1 0 0 0 1 Methacrylonitrile C4H5N 15.8 5.4 9.5 19.2 1.08608 0.8 1.399 11 4 0 0 0 0 0 0 0 11 11 0 0 0 0 0 0 0 0 4 0 4 4 0 0 0 0 0 0 0 0 2 0 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 5 5 0 0 0 0 0 3.45 10.4 0.203 4.39 0.624 -0.189 0.117 -0.862 0 1 0 0 0 1 Methanol CH4O 14.7 22.3 12.3 29.4 -0.3915 0.791 1.327 0 6 4 3 0 0 0 0 0 0 0 0 3 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 6 6 0 0 0 0 1 2.717 7.27 4.792 3.39 3.851 -0.269 0.011 0.03 0 1 0 0 1 1 Pentoxone C7H14O2 15.3 5.9 6 17.5 1.3905 0.89 -1.399 0 4 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 2 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 2 1 0 1 3 3 1 0 0 3 2 2 2 2 2 1 2 2 0 1 0 12 12 0 0 1 0 0 5.047 17.78 6.718 23.31 3.474 -0.338 0.128 -0.358 0 1 0 0 1 1 2-Methyl-1-Butanol C5H12O 16 14.3 5.1 22.1 1.0248 0.819 1.409 0 2 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 0 0 1 2 1 0 2 4 3 0 4 2 3 0 14 14 0 0 0 1 0 4.988 17.06 4.647 28.36 3.048 -0.328 0.052 -0.04 0 1 0 0 1 1 Methyl Acetate C3H6O2 15.5 7.6 7.2 18.7 0.1793 0.932 1.359 0 2 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 1 1 1 1 0 1 0 6 6 0 0 0 0 1 3.447 17.84 9.608 5.62 0.711 -0.456 0.296 -0.613 0 1 0 0 0 1 Methyl Acrylate C4H6O2 15.3 9.4 6.7 19.2 0.3454 0.956 1.4 11 1 1 1 0 0 0 2 2 11 9 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 2 2 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 6 6 0 0 0 0 1 3.451 15.16 7.446 -3.07 0.692 -0.415 0.282 -0.839 0 1 0 0 0 1 Methyl Amyl Acetate C8H16O2 15.2 6.8 3.1 16.9 1.9841 0.86 1.409 8 33 0 0 0 0 0 0 0 8 8 8 0 0 0 0 0 0 0 23 1 14 28 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 2 1 1 0 0 1 3 2 1 1 5 5 0 5 0 5 0 14 14 0 0 0 0 0 5.367 19.48 10.123 34.42 4.178 -0.425 0.209 -0.078 0 1 1 0 1 1 Methyl Butyl Ketone C6H12O 15.3 4.1 6.1 17 1.7656 0.811 1.399 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 1 0 0 0 1 3 1 1 2 4 3 0 4 1 3 0 13 13 0 0 1 0 0 5.085 17.69 6.895 34.33 0.877 -0.289 0.117 -0.386 0 1 0 0 0 1 Methyl Chloroformate C2H3ClO2 16.3 8.5 9.5 20.7 0.9916 1.213 1.387 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 3.09 9.39 17.06 0.53 9.56 -0.36 0.363 -0.29 0 1 0 0 0 1 Methyl Cyclohexane C7H14 16 1 0 16 2.5866 0.769 1.421 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 2 5 0 0 4 5 3 0 5 0 3 0 14 14 0 0 0 0 0 4.822 11.11 4.304 35.41 4.638 -0.067 -0.018 0.03 0 0 0 1 0 0 Methyl Ethyl Ketone C4H8O 16 5.1 9 19.1 0.9854 0.805 1.376 0 7 0 0 0 0 0 0 0 0 0 0 0 0 3 4 5 4 4 0 5 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 1 0 0 0 1 2 0 0 2 3 1 0 2 0 1 0 10 10 0 0 1 0 0 4.205 13.71 5.165 25.45 -0.087 -0.276 0.111 -0.291 0 1 0 0 0 1 Methyl Formate C2H4O2 15.3 10.2 8.4 20.2 -0.2108 0.974 1.342 4 3 3 3 0 0 0 0 4 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 5 5 0 0 0 0 1 2.931 11.69 9.576 -0.1 3.227 -0.414 0.266 -0.573 0 1 0 0 0 1 Methyl Hydrazine CH6N2 16.2 14.8 8.7 23.6 -0.9205 0.886 1.433 0 2 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 6 6 0 0 0 0 1 2.723 6.48 8.447 3.14 3.885 -0.219 0.02 0.093 0 1 1 0 1 1 Methyl Isoamyl Ketone C7H14O 16 4.1 5.7 17.5 2.0116 0.814 1.405 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 2 0 0 0 2 5 1 0 4 4 2 0 5 0 1 0 14 14 0 0 1 0 0 5.056 14.83 6.484 34.59 0.756 -0.255 0.113 -0.293 0 1 0 0 0 1 Methyl Isobutyl Carbinol C6H14O 15.4 12.3 3.3 20 1.4133 0.807 1.409 0 6 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 1 2 7 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 1 1 1 4 2 1 1 4 4 1 4 0 4 0 15 15 0 0 0 1 0 5.433 19.98 -0.685 31.76 -1.697 -0.42 0.041 -0.167 0 1 1 0 1 1 Methyl Isobutyl Ketone C6H12O 15.3 4.1 6.1 17 1.6215 0.801 1.393 0 14 0 0 0 0 0 0 0 0 0 0 0 0 0 2 13 13 13 0 14 0 6 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 1 3 1 1 2 3 2 1 3 0 2 0 12 12 0 0 1 0 0 4.769 17.82 3.821 28.06 -1.372 -0.286 0.094 -0.344 0 1 0 0 0 1 Methyl Isocyanate C2H3NO 15.6 2.5 11.5 19.5 -0.048 0.926 1.363 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 5 5 0 0 0 0 1 2.958 6.71 7.306 6.37 8.676 -0.139 0.149 -0.329 0 1 0 0 0 1 Methyl Isopropenyl Ketone C5H8O 15.9 4.5 12.1 20.5 1.1515 0.846 1.421 12 5 0 0 0 0 0 0 0 12 12 0 0 0 0 1 1 1 1 0 5 4 4 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 2 1 2 0 8 8 0 0 1 0 0 3.789 18.63 7.87 12.18 0.189 -0.283 0.152 -0.613 0 1 0 0 0 1 Methyl Isothiocyanate C2H3NS 17.3 10.1 16.2 25.8 0.719 1.069 1.495 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 6 6 0 0 0 0 1 3.023 6.37 14.998 5.22 8.825 -0.101 0.051 -0.011 0 1 0 0 0 1 Methyl Methacrylate C5H8O2 15.8 5.4 6.5 17.9 0.7355 0.936 1.412 9 5 1 1 0 0 0 0 0 9 9 0 1 1 0 0 0 0 0 0 4 4 4 0 0 0 0 0 1 0 0 0 0 2 1 2 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 1 1 1 1 0 1 0 7 7 0 0 0 0 1 3.842 16.97 5.816 4.67 1.153 -0.42 0.283 -0.84 0 1 0 0 0 1 Methyl n-Amyl Ketone C7H14O 16.2 4.1 5.7 17.7 2.1557 0.815 1.407 0 5 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 3 2 1 4 0 2 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 2 0 0 0 2 4 1 1 2 5 3 0 5 1 3 0 14 14 0 0 1 0 0 5.403 18.85 7.487 35.24 -0.251 -0.322 0.119 -0.325 0 1 0 0 0 1 Methyl n-Propyl Ketone C5H10O 16 4.7 7.6 18.3 1.3755 0.806 1.388 0 15 0 0 0 0 0 0 0 0 0 0 0 0 2 3 6 6 6 6 6 7 17 0 0 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 1 0 0 0 1 1 1 1 1 3 2 0 3 2 2 0 12 12 0 0 1 0 0 4.589 15.73 5.111 29.19 1.054 -0.293 0.095 -0.373 0 1 0 0 0 1 Methyl Propionate C4H8O2 15.5 7.7 6.5 18.5 0.5694 0.915 1.374 0 11 1 1 0 0 0 0 0 0 0 0 1 1 2 5 5 5 5 1 5 0 5 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 1 2 2 1 1 0 1 0 8 8 0 0 0 0 0 3.692 15.71 8.139 13.47 0.983 -0.438 0.255 -0.458 0 1 0 0 0 1 Methyl Thiocyanate C2H3NS 17.3 6 15 23.7 0.83048 1.077 -1.498 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 5 5 0 0 0 0 1 3.098 7.55 10.743 -0.06 11.212 -0.189 0.171 -0.011 0 1 0 0 0 1 Methyl Vinyl Ketone C4H6O 15.6 5 12.5 20.6 0.7614 0.842 1.412 9 1 0 0 0 0 0 0 0 9 9 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 1 0 6 6 0 0 1 0 0 3.287 15.59 10.503 5.06 0.635 -0.233 0.117 -0.602 0 1 0 0 0 1 2-Methyl-1-Butene C5H10 14.5 1.3 1.8 14.7 1.9725 0.65 1.375 5 24 0 5 0 0 0 0 0 5 5 5 0 0 0 0 4 4 4 0 9 11 17 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 1 3 2 0 3 1 2 0 11 11 0 0 0 0 0 4.415 13.35 -0.49 19.79 0.486 -0.192 0.088 -0.638 0 0 0 0 0 1 3-Methyl-1,2-Butadiene C5H8 15.1 4.5 2.5 16 1.7375 0.681 1.417 7 10 0 7 0 0 0 0 0 5 5 7 2 0 0 0 0 0 0 3 0 3 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 1 1 0 1 0 1 0 7 7 0 0 0 0 0 3.824 18.41 2.03 22.37 -0.044 -0.251 0.045 -0.493 0 0 0 0 0 1 2-Methyl-1,3-Dioxolane C4H8O2 17.3 5.8 4.8 18.9 0.3792 -0.984 -1.41 10 20 10 12 0 0 0 0 0 4 4 15 12 6 0 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 1 0 1 0 10 10 0 0 0 0 0 3.934 16.66 -2.736 14.53 0.111 -0.384 0.141 -0.219 0 1 0 1 0 1 Methyl-t-Butyl Ether C5H12O 14.8 5 4.3 16.2 1.4313 0.741 1.366 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 2 1 1 0 0 1 1 1 1 1 1 1 1 1 0 0 0 9 9 0 0 0 0 0 3.894 12.12 0.938 17.73 0.861 -0.329 0.05 -0.21 0 1 0 0 0 1 Methylene Dichloride CH2Cl2 17 7.1 7.3 19.8 1.4215 1.326 1.421 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 4 4 0 0 0 0 1 2.644 6.7 25.49 0.86 19.643 -0.175 0.113 0.749 0 0 0 0 0 1 Morpholine C4H9NO 18 11 4.9 21.7 -0.3938 0.996 1.452 0 10 5 5 0 0 0 0 0 0 0 0 5 5 5 5 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 0 0 1 0 2 1 0 0 0 0 0 0 0 0 7 7 0 0 0 0 1 3.083 8.42 7.163 3.88 2.093 -0.384 0.084 0.152 0 1 1 0 1 1 Nitroethane C2H5NO2 16 4.5 15.5 22.7 0.283 1.043 1.39 4 7 0 4 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 3 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 0 7 7 0 0 0 0 0 3.174 10.24 11.202 9.65 11.351 -0.251 0.159 -0.15 0 1 0 0 0 1 Nitromethane CH3NO2 15.8 6.1 18.8 25.3 -0.1071 1.129 1.38 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 2.896 8.81 10.291 1.48 5.616 -0.287 0.195 -0.124 0 1 0 0 0 1 1-Nitropropane C3H7NO2 16.6 5.5 12.3 21.4 0.6731 0.998 1.4 4 17 0 4 0 0 0 0 0 0 0 4 4 0 0 1 2 2 2 0 9 3 10 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 1 1 2 0 7 7 0 0 0 0 0 3.618 11.78 4.562 14.33 1.511 -0.233 0.131 -0.341 0 1 0 0 0 1 2-Nitropropane C3H7NO2 16.2 4.1 12.1 20.6 0.6715 0.992 1.392 1 2 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 6 6 0 0 0 0 0 3.365 12.48 8.888 11.15 0.204 -0.261 0.158 -0.314 0 1 0 0 0 1 Nonane C9H20 15.7 0 0 15.7 3.7569 0.718 1.403 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 1 0 0 0 1 4 0 0 3 5 2 0 5 1 2 0 14 14 0 0 0 0 0 4.865 11.21 3.489 34.99 1.113 -0.103 -0.043 0.03 0 0 0 0 0 0 Octane C8H18 15.5 0 0 15.5 3.3668 0.703 1.395 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 0 0 0 1 3 0 0 2 4 2 0 4 1 2 0 12 12 0 0 0 0 0 4.458 10.67 2.737 32.25 1.897 -0.098 -0.034 0.012 0 0 0 0 0 0 1-Octene C8H16 15.3 2.4 1 15.5 3.1428 0.715 1.406 3 4 0 0 0 0 0 0 0 3 3 2 0 0 0 0 0 0 0 1 1 0 2 0 1 0 0 0 0 0 0 0 0 2 1 0 0 4 0 0 0 0 2 0 0 0 2 5 0 0 4 6 2 0 6 1 2 0 14 14 0 0 0 0 0 5.363 14.09 3.013 35.02 2.511 -0.133 -0.008 -0.164 0 0 0 0 0 0 Pentane C5H12 14.5 0 0 14.5 2.1965 0.626 1.355 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 2 0 0 1 3 2 0 3 1 2 0 11 11 0 0 0 0 0 4.183 11.32 0.232 29.04 -0.179 -0.164 -0.029 -0.06 0 0 0 0 0 1 1-Pentanol C5H12O 15.9 13.9 5.9 21.9 1.1689 0.809 1.408 0 42 3 2 0 0 0 0 0 0 0 0 2 3 0 2 2 2 2 20 2 10 44 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 1 1 2 0 1 1 2 3 1 0 2 4 2 0 4 1 2 0 13 13 0 0 0 1 0 4.955 13.13 -0.397 28.52 0.234 -0.357 0.031 -0.018 0 1 1 0 1 1 1-Pentene C5H10 13.9 3.8 1.4 14.5 1.9725 0.641 1.368 23 41 0 0 0 0 0 0 0 23 23 14 0 0 0 0 2 2 2 15 12 10 30 0 0 0 0 0 0 0 0 0 0 2 1 1 0 1 0 0 0 1 1 0 0 0 1 2 0 0 1 3 2 0 3 1 2 0 11 11 0 0 0 0 0 4.168 13.28 0.113 18.32 0.597 -0.131 -0.032 -0.214 0 0 0 0 0 1 2-Propanethiol C3H8S 16.3 6.5 6.8 18.8 1.3246 0.814 1.423 0 14 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0 4 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 2 2 1 0 2 0 0 0 8 8 0 0 0 0 0 3.208 7.38 7.712 15.44 5.5 -0.171 -0.021 0.236 0 1 0 0 0 1 1-Propanethiol C3H8S 16.1 5.7 5.8 18 1.3262 0.842 1.435 0 23 0 0 0 0 0 0 0 0 0 0 0 0 4 6 6 3 3 12 7 9 22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 3 3 0 3 1 2 0 10 10 0 0 0 0 0 3.782 10.22 3.277 19.58 6.267 -0.204 -0.03 0.184 0 1 0 0 0 1 1-Propanol C3H8O 16 17.4 6.8 24.6 0.3887 0.803 1.384 0 24 3 1 0 0 0 0 0 0 0 0 1 3 0 1 1 1 1 15 1 11 25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 1 2 2 0 1 1 2 0 11 11 0 0 0 1 0 4.201 13.75 1.389 20.04 2.603 -0.419 0.066 0.01 0 1 0 0 0 1 2-Propanol C3H8O 15.8 16.4 6.1 23.6 0.3871 0.785 1.375 4 10 2 5 0 0 0 0 0 0 0 5 5 1 0 0 1 1 1 2 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 0 1 0 9 9 0 0 0 1 0 3.665 12.85 0.136 13.96 -0.296 -0.37 0.12 -0.107 0 1 0 0 0 1 Propionaldehyde C3H6O 15.3 6.9 11.1 20.1 0.5953 0.797 1.359 3 11 0 0 3 3 0 0 0 0 0 0 0 0 8 8 8 8 8 0 8 0 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 2 1 0 1 0 1 0 6 6 0 1 0 0 0 3.113 14.69 6.504 15.94 0.998 -0.321 0.139 -0.295 0 1 0 0 0 1 Propionic Acid C3H6O2 14.7 12.4 5.3 19.9 0.481 0.993 1.384 0 11 0 0 1 0 0 0 0 0 0 0 0 0 3 7 7 5 5 1 7 0 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 0 1 0 6 6 0 0 0 0 0 3.301 14.1 9.933 10.46 0.985 -0.431 0.293 -0.461 0 1 0 0 1 1 Propionitrile C3H5N 15.3 5.5 14.3 21.7 0.91998 0.782 1.364 0 13 0 0 0 0 0 0 0 0 0 0 0 0 3 7 7 7 7 6 7 0 6 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 2 2 0 6 6 0 0 0 0 0 3.407 11.05 0.61 7.81 0.487 -0.229 0.072 -0.466 0 1 0 0 0 1 Propionylchloride C3H5ClO 16.1 5.3 10.3 19.8 1.1618 -1.053 1.405 0 11 0 0 0 0 0 0 0 0 0 0 0 0 5 7 0 0 0 3 0 0 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 1 0 1 1 1 0 1 0 1 0 9 9 0 0 0 0 0 3.843 16.76 4.447 13.6 7.036 -0.326 0.166 -0.247 0 1 0 0 0 1 n-Propyl Acetate C5H10O2 15.3 7.6 4.3 17.6 0.9595 0.888 1.383 3 11 1 3 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 5 1 6 12 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 0 0 3 3 0 2 1 3 0 11 11 0 0 0 0 0 4.789 21.25 7.905 22.06 0.362 -0.462 0.329 -0.629 0 1 0 0 0 1 Propyl Amine C3H9N 16 8.6 4.9 18.8 0.3551 0.717 1.385 0 18 0 0 0 0 0 0 0 0 0 0 0 0 5 5 5 0 0 13 3 3 22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 1 1 1 2 2 0 2 1 1 0 10 10 0 0 0 0 0 3.603 9.16 2.221 19.37 2.06 -0.291 -0.009 0.05 0 1 1 0 1 1 Propyl Chloride C3H7Cl 16 2 7.8 17.9 1.6352 0.891 1.386 0 9 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 0 0 6 0 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 1 1 1 2 2 0 2 1 2 0 10 10 0 0 0 0 0 3.742 9.5 7.264 23.61 6.812 -0.186 0.007 0.113 0 0 0 0 0 1 Propylene Glycol Monomethyl Ether C4H10O2 15.6 11.6 6.3 20.4 0.0136 0.919 1.402 1 13 1 1 0 0 0 0 0 0 0 1 1 8 0 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 2 1 2 1 1 0 2 0 0 1 1 0 1 0 1 0 11 11 0 0 0 1 0 4.454 17.2 -0.169 13.05 -2.236 -0.427 0.1 -0.184 0 1 1 0 1 1 Propylene Glycol Monomethyl Ether Acetate C6H12O3 15.6 9.8 5.6 19.3 0.5844 0.966 1.399 7 20 0 0 0 0 0 0 0 7 7 7 0 9 0 0 0 0 0 2 2 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 2 3 1 2 1 1 1 0 2 0 0 2 2 0 2 1 2 0 11 11 0 0 0 0 0 5.071 22.02 3.469 17.7 0.262 -0.453 0.291 -0.5 0 1 0 0 0 1 Propylene Oxide C3H6O 15.2 6.7 8.6 18.7 0.4051 0.823 1.363 0 38 0 0 0 0 0 0 0 0 0 0 0 0 26 35 19 8 8 3 11 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 0 2 2 0 1 1 1 1 0 1 0 6 6 0 0 0 0 0 2.866 7.95 1.838 7 1.208 -0.352 0.064 0.152 0 1 0 1 0 1 Pyridine C5H5N 19 5.9 8.8 21.8 1.0816 0.978 1.508 27 0 0 0 0 0 4 11 23 23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 3.385 11.93 1.421 -2.45 -1.09 -0.257 0.044 -0.872 1 1 0 1 0 1 Pyrrole C4H5N 19.2 10 11 24.3 1.0147 0.965 1.508 11 0 0 0 0 0 1 5 6 10 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.852 8.83 5.681 -1.57 0.285 -0.261 0.011 -0.708 0 0 0 1 1 1 Styrene C8H8 18.6 4.1 1 19.1 2.3296 0.906 1.554 4 0 0 0 0 0 0 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 6 0 0 0 0 0 4.219 10.05 3.473 1.48 -1.745 -0.139 -0.001 -0.868 1 0 0 1 0 1 1,1,2,2-Tetrachloroethane C2H2Cl4 18.8 5.3 5.1 20.2 2.5938 1.595 1.491 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.797 6.85 34.152 3.01 31.771 -0.136 0.098 0.926 0 0 0 0 0 1 Tetrahydrofuran C4H8O 16.8 8 5.7 19.5 0.7968 0.886 1.405 2 23 9 6 0 0 0 0 0 0 0 3 6 10 0 0 0 0 0 3 7 9 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 1 0 1 1 1 0 1 0 1 0 8 8 0 0 0 0 0 3.3 9 2.779 12.05 1.016 -0.319 0.045 0.053 0 1 0 1 0 1 Tetrahydropyran C5H10O 16.4 6 6.3 18.6 1.1869 0.881 1.421 0 15 8 7 0 0 0 0 0 0 0 0 7 8 0 0 0 0 0 7 0 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 2 1 0 1 2 2 0 2 0 2 0 10 10 0 0 0 0 0 3.845 11.07 2.817 21.5 0.876 -0.352 0.063 0.025 0 1 0 1 0 1 Tetrahydrothiapyran C5H10S 18.5 8.9 6.3 21.5 1.9035 0.981 1.504 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 3 0 0 3 3 2 0 3 0 1 0 10 10 0 0 0 0 0 3.797 8.91 9.945 22.89 6.551 -0.134 -0.013 0.266 0 0 0 0 0 1 Tetramethylene Sulfide C4H8S 18.6 6 6.7 20.7 1.5134 0.997 1.507 0 28 0 0 0 0 0 0 0 0 0 0 0 0 14 14 1 0 0 0 14 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 2 2 0 0 2 2 0 0 2 0 0 0 6 6 1 0 0 0 0 2.855 4.37 12.262 11.75 11.374 -0.14 0.002 0.724 0 1 0 1 0 1 Thioacetic Acid C2H4OS 17 8.9 6.7 20.3 0.4627 1.059 1.465 1 6 0 0 0 0 0 0 0 1 1 1 0 0 4 5 5 5 5 0 5 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 4 4 0 0 0 0 0 2.595 11.34 18.876 5.57 10.552 -0.211 0.122 0.196 0 1 0 0 0 1 Thiophene C4H4S 18.9 7.8 2.4 20.6 1.7481 1.059 1.526 19 0 0 0 0 0 0 18 19 19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 3.2 7.16 14.494 -1.75 8.868 -0.15 -0.017 -0.203 1 1 0 1 0 1 Toluene C7H8 18 2 1.4 18.2 1.99502 0.867 1.494 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 4 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 7 7 0 0 0 0 0 4.085 10.17 2.667 4.31 -1.229 -0.105 0.015 -0.818 1 0 0 1 0 1 Trichloroacetonitrile C2Cl3N 16.4 6.1 7.4 19 1.88018 1.44 1.44 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.882 7.36 26.633 -0.75 24.457 -0.195 0.217 0.367 0 1 0 0 0 1 1,1,1-Trichloroethane C2H3Cl3 16.8 2 4.3 17.5 2.3765 1.339 1.431 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 2.717 6.85 28.035 2.21 20.226 -0.175 0.126 0.831 0 1 0 0 1 1 1,1,2-Trichloroethane C2H3Cl3 18.2 6.8 5.3 20.1 2.0289 1.44 1.469 5 2 2 2 0 0 0 0 0 3 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 2 1 1 0 0 1 0 1 1 0 0 0 1 0 0 0 0 6 6 0 0 0 0 1 2.927 8.47 26.634 3.04 23.705 -0.269 0.141 0.722 0 0 0 0 0 1 1,1,2-Trichlorotrifluoroethane C2Cl3F3 14.7 0 1.6 14.8 2.9189 1.564 1.354 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 1 2.632 5.21 28.277 -0.45 26.558 -0.128 0.255 0.372 0 0 0 0 0 1 Triethylamine C6H15N 15.5 1 0.4 15.5 1.3481 0.728 1.398 0 4 0 0 0 0 0 0 0 0 0 0 0 0 3 4 4 4 4 0 4 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 1 1 0 1 1 1 0 8 8 0 0 0 0 0 3.174 9.17 2.358 11.44 1.931 -0.245 0 -0.033 0 1 0 0 0 1 Trimethylene Sulfide C3H6S 18.8 9.4 7.8 22.4 1.1233 1.014 1.507 0 31 0 0 0 0 0 0 0 0 0 0 0 13 8 25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 2 2 1 0 2 0 1 0 7 7 1 0 0 0 0 2.987 6.72 9.868 6.65 9.156 -0.171 0.021 0.303 0 1 0 1 0 1 2,2,4-Trimethylpentane C8H18 14.1 0 0 14.1 3.0786 0.692 1.389 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 1 2 0 0 0 2 4 1 1 4 4 2 1 4 0 2 0 14 14 0 0 0 0 0 4.862 12.03 1.477 35.26 1.521 -0.125 -0.021 -0.018 0 0 0 0 0 1 Valeronitrile C5H9N 15.3 4.8 11 19.4 1.70018 0.801 1.395 0 39 0 0 0 0 0 0 0 0 0 0 0 0 2 10 10 10 10 22 11 15 38 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 4 4 0 4 2 3 0 10 10 0 0 0 0 0 4.332 13.31 0.709 23.48 0.841 -0.219 0.025 -0.463 0 1 0 0 0 1 Vinyl 2-Chloro Ethyl Ether C4H7ClO 16.3 5.8 6.7 18.6 1.3853 -1.025 -1.441 4 4 2 4 0 0 0 0 0 1 1 3 4 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 1 1 0 1 1 2 2 1 0 0 1 1 2 0 1 0 0 0 1 0 0 0 9 9 0 0 0 0 0 4.374 16.91 1.842 6.08 -3.793 -0.487 0.115 -0.705 0 1 0 0 0 1 Vinyl Acetate C4H6O2 16 5.9 7.2 18.5 0.693 0.934 1.393 12 9 0 4 0 0 0 4 4 12 8 8 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 6 6 0 0 0 0 1 3.432 16.01 7.449 5.75 -0.104 -0.415 0.279 -0.732 0 1 0 0 0 1 Vinyl Butyrate C6H10O2 15.6 6.9 3.9 17.5 1.4732 0.901 -1.419 12 24 0 4 0 0 0 3 4 12 8 8 0 0 2 6 6 6 6 4 8 8 15 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 3 2 0 3 1 2 0 10 10 0 0 0 0 0 4.364 17.17 4.259 14.7 1.336 -0.417 0.267 -0.723 0 1 0 0 0 1 Vinyl Ethyl Sulfide C4H8S 16.4 6.3 5.8 18.5 1.883 -0.864 1.478 8 14 0 0 0 0 0 0 0 8 8 3 0 0 4 4 4 0 0 7 1 0 7 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 2 1 2 0 11 11 0 0 0 0 0 4.307 16.76 -5.521 13.84 4.794 -0.257 -0.005 -0.334 0 1 0 0 0 1 Vinyl Formate C3H4O2 15.3 9.7 6.5 19.2 0.3029 0.954 1.385 28 14 0 3 0 0 0 6 14 22 14 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 3.097 11.45 5.444 -0.67 0.007 -0.361 0.238 -0.688 0 1 0 0 0 1 Vinyl Propionate C5H8O2 15.6 4.7 8 18.2 1.0831 0.824 1.406 12 15 0 8 0 0 0 3 3 4 1 8 8 0 0 1 4 4 4 0 4 0 3 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 0 1 0 7 7 0 0 0 0 0 3.965 19.56 6.244 9.94 -0.412 -0.502 0.326 -0.842 0 1 0 0 0 1 Vinyl Trimethyl Silane C5H12Si 14.5 2.5 1 14.7 2.0498 0.691 1.391 12 0 0 0 0 0 0 0 0 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 6 0 0 0 0 0 3.12 10.56 2.594 0.6 -0.177 -0.283 0.045 -0.355 0 1 0 0 0 1 p-Xylene C8H10 17.8 3.1 1 18.1 2.30344 0.861 1.493 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 6 6 0 0 0 0 1 3.321 8.28 12.595 4.96 6.955 -0.135 0.031 -0.095 0 0 0 0 0 1 o-Xylene C8H10 17.8 3.1 1 18.1 2.30344 0.88 1.503 7 2 0 0 0 0 0 7 7 7 0 0 0 0 0 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 3 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 7 7 0 0 0 0 1 3.837 9.77 4.298 2.4 1.952 -0.121 -0.025 -0.645 1 0 0 1 0 1 2-Ethyl-1-Butene C6H12 14.9 3.5 1.7 15.4 2.3626 0.69 1.394 5 16 0 3 0 0 0 0 0 5 5 5 0 0 0 0 2 2 2 0 8 3 8 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 0 2 1 1 0 9 9 0 0 0 0 0 3.935 13.49 -1.19 19.32 0.397 -0.22 0.073 -0.557 0 1 0 0 0 1 2-Bromobutane C4H9Br 16.3 4.4 7.7 18.6 2.1798 1.259 1.434 4 24 1 4 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 3 10 17 22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 0 0 2 2 1 1 2 3 2 1 3 1 2 0 11 11 0 0 0 0 0 3.93 8.48 22.176 22.86 11.136 -0.197 0.034 0.796 0 0 0 0 0 1 2-Methyl-2-Butanol C5H12O 15.3 13.3 6.1 21.2 1.1673 0.81 1.402 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 2 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 2 1 1 0 0 1 2 0 0 2 3 1 0 2 0 1 0 12 12 0 0 0 1 0 4.464 11.77 3.973 29.14 2.161 -0.301 0.064 0.032 0 1 1 0 1 1 2-Pentanol C5H12O 15.6 13.3 6.4 21.5 1.1673 0.805 1.404 0 5 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 2 1 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 0 0 1 2 2 0 1 3 3 0 4 1 3 0 14 14 0 0 0 1 0 5.056 16.56 1.171 31.96 1.529 -0.364 0.064 0.024 0 1 1 0 1 1 Dipropyl Ketone C7H14O 15.8 4.9 7.6 18.2 2.1557 0.816 1.407 0 9 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 3 3 6 3 6 9 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 2 2 0 2 2 2 0 10 10 0 0 1 0 0 4.136 15.2 6.173 26.99 1.968 -0.301 0.119 -0.369 0 1 0 0 0 1 Bromotrichloro Methane CBrCl3 18.3 0 0.8 18.3 2.709 1.994 1.506 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.701 6.02 38.289 0.29 35.431 -0.17 0.205 1.027 0 0 0 0 0 1 Bromomethyl Methyl Ether C2H5BrO 16.9 7 8.5 20.2 0.9852 1.531 1.456 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 3.131 9.55 25.507 1.62 19.495 -0.282 0.129 0.561 0 1 0 0 0 1 2-Chlorobutane C4H9Cl 15.8 2 7.6 17.6 2.0237 0.873 1.394 3 23 2 4 0 0 0 0 0 0 0 4 4 1 0 0 0 0 0 9 5 15 21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 0 1 1 2 2 1 0 2 3 2 0 3 1 2 0 11 11 0 0 0 0 0 4.242 10.69 6.432 25.49 8.422 -0.154 0.046 0.191 0 0 0 0 0 1 Isoamyl Alcohol C5H12O 15.8 13.3 5.2 21.3 1.0248 0.81 1.405 0 14 4 3 0 0 0 0 0 0 0 0 3 4 0 0 0 0 0 9 0 7 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 0 1 1 2 3 2 0 2 2 2 0 3 0 2 0 12 12 0 0 0 1 0 4.549 13.14 -0.579 25.34 0.683 -0.341 0.058 0.015 0 1 1 0 1 1 Ethylene Glycol Diethyl Ether C6H14O2 15.4 5.2 5.4 17.1 1.0594 0.848 1.389 0 8 3 1 0 0 0 0 0 0 0 0 1 5 0 0 0 0 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 1 2 1 0 0 0 2 0 0 1 1 0 1 1 1 0 11 11 0 0 0 0 0 4.248 15.55 3.131 14.82 1.688 -0.402 0.084 -0.071 0 1 1 0 0 1 Isobutyl Acrylate C7H12O2 15.5 5 6.2 17.4 1.3716 0.885 1.415 13 7 2 2 0 0 0 2 2 11 9 2 2 0 0 0 0 0 0 0 5 4 6 0 0 0 0 0 1 0 0 0 0 2 2 2 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 2 2 0 2 0 1 0 10 10 0 0 0 0 0 4.612 19.15 3.252 10.26 0.925 -0.441 0.301 -0.876 0 1 0 0 0 1 1,1-Diethoxy Butane C8H18O2 15.4 4.6 4.9 16.8 2.1856 0.816 1.393 3 46 11 11 0 0 0 0 0 1 1 3 10 16 0 0 0 0 0 26 0 11 30 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 1 2 1 1 0 1 4 3 0 4 2 3 0 14 14 0 0 0 0 0 4.851 15.14 0.932 29.24 1.346 -0.391 0.142 -0.037 0 1 0 0 0 1 p-Fluoroanisole C7H7FO 18.7 6.7 7.3 21.2 1.8343 1.114 1.488 2 1 1 1 0 0 0 2 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 0 2 2 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 7 7 0 0 0 0 1 4.147 16.68 4.251 2.16 -0.245 -0.463 0.224 -0.892 1 1 0 1 0 1 o-Chlorofluorobenzene C6H4ClF 19.4 2 8.7 21.4 2.4791 -1.21 1.501 4 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 5 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 7 0 0 0 0 0 4.319 13.38 -4.506 6.03 -6.338 -0.233 0.116 -0.919 1 1 0 1 0 1 o-Difluorobenzene C6H4F2 18 1 9 20.1 1.9648 1.15 1.443 35 0 0 0 0 0 0 35 35 35 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3.364 7.24 19.529 -2.65 12.33 -0.243 0.109 -0.079 1 1 0 1 0 1 Cyclohexene C6H10 17.2 2 1 17.3 2.1166 0.811 1.444 3 30 0 0 0 0 0 0 0 3 3 0 0 0 0 0 1 1 1 9 15 24 26 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 1 2 2 0 2 0 2 0 8 8 0 0 0 0 0 3.6 7.54 10.462 19.05 4.558 -0.141 -0.013 0.24 0 0 0 1 0 1 1,3-Dichloro Propane C3H6Cl2 18 3 8.2 20 1.8541 1.188 1.446 0 2 1 1 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 2 1 0 2 1 0 0 2 0 0 0 7 7 0 0 0 0 1 3.249 7.24 22.719 9.71 18.347 -0.116 0.025 0.608 0 1 0 0 0 1 Isopropyl Benzene C9H12 18.1 1.2 1.2 18.2 2.81 0.862 1.489 3 2 0 0 0 0 0 3 3 3 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 1 3 3 3 0 1 0 0 0 1 1 0 0 0 1 2 0 0 2 2 1 0 2 0 1 0 10 10 0 0 0 0 0 4.718 11.5 2.608 8.74 0.295 -0.128 0.147 -0.776 1 0 0 1 0 1 1,1,1,2-Tetrachloroethane C2H2Cl4 18 4.2 4.4 19 2.5954 1.541 1.479 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.796 7.7 31.157 1.79 24.446 -0.208 0.225 0.828 0 1 0 0 0 1 1,2,3-Trichloropropane C3H5Cl3 17.8 3.4 12.3 21.9 2.0714 1.389 1.481 18 32 20 32 0 0 0 0 0 0 0 30 32 14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 1 2 0 2 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 0 2.517 5.48 28.061 5.79 25.259 -0.298 0.101 0.629 0 0 0 0 0 1 2-Methyl Pyrazine C5H6N2 18.3 10.5 12.3 24.4 0.78502 1.01 1.504 3 1 0 0 0 0 3 0 2 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 7 7 0 0 0 0 0 3.707 15.52 2.325 6.7 -0.221 -0.267 0.05 -0.857 1 1 0 1 0 1 Vinyl Isobutyl Ether C6H12O 15.1 5.1 4.1 16.5 1.8025 0.772 -1.402 12 14 4 8 0 0 0 2 2 4 2 8 8 2 0 0 0 0 0 0 4 3 6 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 1 0 0 1 0 1 0 0 0 1 0 0 1 2 1 0 2 0 1 0 9 9 0 0 0 0 0 4.316 13.82 2.612 13.91 1.156 -0.431 0.123 -0.534 0 1 0 0 0 1 Vinyl Isopropyl Ether C5H10O 14.7 5.2 3.5 16 1.5549 0.78 -1.382 21 15 4 13 0 0 0 0 0 8 8 13 13 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 1 0 1 0 1 0 7 7 0 0 0 0 0 3.558 13.78 1.571 12.87 0.189 -0.48 0.199 -0.443 0 1 0 0 0 1 Propyl Formate C4H8O2 15.5 8.6 7.1 19.1 0.5694 0.9 1.375 2 2 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 0 2 2 0 1 1 2 0 10 10 0 0 0 0 0 4.518 20.33 5.885 15.96 0.364 -0.5 0.285 -0.595 0 1 0 0 0 1 Ethyl Butyrate C6H12O2 15.5 5 5.6 17.2 1.3496 0.878 1.39 4 28 0 4 0 0 0 0 0 0 0 4 4 0 0 4 5 5 5 12 6 13 24 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 1 2 1 1 0 1 4 3 0 4 2 3 0 10 10 0 0 0 0 0 4.647 20.2 12.409 17.95 3.487 -0.476 0.254 -0.563 0 1 0 0 0 1 1-Hexanol C6H14O 15.9 12.5 5.8 21 1.559 0.819 1.416 0 31 4 3 0 0 0 0 0 0 0 0 3 4 0 0 0 0 0 26 0 12 35 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 1 1 3 0 1 1 3 4 1 0 3 5 3 0 5 1 3 0 14 14 0 0 0 1 0 5.251 13.63 0.421 32.2 1.236 -0.345 0.047 0.037 0 1 1 0 1 1 2,2,2-Trifluoro Ethanol C2H3F3O 15.4 16.4 8.3 24 0.541 1.469 1.291 2 8 6 7 0 0 0 0 0 0 0 3 7 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 5 5 0 0 0 1 1 2.931 7.75 17.12 -1.6 5.06 -0.305 0.264 -0.066 0 1 0 0 1 1 2-Ethylhexyl Amine C8H19N 15.7 6.1 4.2 17.4 2.1762 0.759 1.419 0 14 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 0 0 11 2 0 18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 2 3 0 0 0 3 5 2 2 3 6 4 0 6 2 4 0 15 15 0 0 0 0 0 5.488 14.32 3.279 35.95 3.043 -0.263 0.001 0.012 0 1 1 0 1 1 1-Chloro Pentane C5H11Cl 16 1.9 6.9 17.5 2.4154 0.882 1.41 0 4 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 2 0 0 0 2 3 1 1 2 4 2 0 4 1 2 0 14 14 0 0 0 0 0 4.496 9.49 14.521 30.45 10.25 -0.202 -0.006 0.515 0 0 1 0 1 1 Di-n-Propyl Ether C6H14O 15.1 3.2 3.2 15.8 1.823 0.747 1.378 0 11 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 0 0 6 0 6 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 1 0 0 0 2 2 0 1 1 2 0 10 10 0 0 0 0 0 4.229 13.43 0.787 22.76 1.613 -0.337 0.056 -0.193 0 1 0 0 0 1 1-Chlorohexane C6H13Cl 16.1 1.7 6.2 17.3 2.8055 0.879 1.42 0 4 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 2 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 1 3 0 0 0 3 4 1 1 3 5 3 0 5 1 3 0 15 15 0 0 0 0 0 5.148 11.96 5.853 35.77 5.26 -0.145 -0.005 0.174 0 0 0 0 0 1 t-Butyl Acetate C6H12O2 15 6 3.7 16.6 1.348 0.862 1.384 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 2 0 0 1 2 1 0 2 0 1 0 7 7 0 0 0 0 0 4.086 16.56 6.935 20.17 -0.173 -0.401 0.257 -0.62 0 1 0 0 0 1 Vinyl Butyl Ether C6H12O 15.2 5.1 4.1 16.5 1.9466 0.774 1.4 12 41 7 12 0 0 0 2 2 4 2 8 12 4 0 0 0 0 0 22 0 13 36 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 0 1 1 1 2 1 0 0 1 1 1 0 1 3 2 0 3 1 2 0 11 11 0 0 0 0 0 4.69 14.23 0.808 20.12 0.09 -0.466 0.105 -0.403 0 1 0 0 0 1 2-Chloro-2-Methyl Propane C4H9Cl 15.6 2 7.6 17.5 2.0237 0.842 1.383 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 8 8 0 0 0 0 1 3.577 9.5 14.51 15.07 12.847 -0.267 0.112 0.233 0 1 0 0 0 1 Paraldehyde C6H12O3 16 6 5 17.8 1.0878 0.985 1.405 4 6 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 6 6 0 0 0 0 1 2.924 8.85 11.349 11.61 6.928 -0.178 0.102 0.208 0 1 0 0 0 1 Trichloromethylsilane CH3Cl3Si 16.5 3.5 6.6 18.1 2.2715 1.266 1.409 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 5 5 0 0 0 0 1 2.726 6.82 22.59 7.37 14.094 -0.152 0.125 0.705 0 1 0 0 0 1 N-Methyl Pyrrolidine C5H11N 16.8 6.7 2.8 18.3 0.712 0.806 1.429 0 19 0 0 0 0 0 0 0 0 0 0 0 0 8 11 11 9 9 0 14 8 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 1 2 2 2 2 1 1 1 1 1 0 1 0 8 8 0 0 0 0 0 3.54 10.7 0.062 11.88 -2.468 -0.292 0.013 0.074 0 1 0 1 0 1 2-Chlorothiophene C4H3ClS 19.2 8 6.2 21.7 2.4015 1.286 -1.557 12 0 0 0 0 0 0 12 12 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3.775 7.04 14.326 -1.72 12.43 -0.143 0.137 -0.35 1 1 0 1 0 1 2-Methoxy-1,3-Dioxolane C4H8O3 17.8 7.7 8.4 21.1 -0.0368 1.092 1.409 18 18 7 17 0 0 0 0 0 1 1 17 17 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 1 2 2 1 1 1 1 0 2 1 0 0 0 1 0 0 0 0 5 5 0 0 0 0 0 3.055 10.94 6.824 4.27 2.484 -0.323 0.252 -0.16 0 1 0 1 0 1 2-Methylfuran C5H6O 17.3 7.4 2.8 19 1.58802 0.827 1.432 24 5 0 0 0 0 0 7 7 24 17 0 0 0 0 5 5 5 5 0 5 0 0 0 0 0 0 0 0 0 1 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 7 7 0 0 0 0 0 3.777 13.73 3.804 3 -0.257 -0.419 0.115 -0.72 1 1 0 1 0 1 2-Methyl Tetrahydrofuran C5H10O 16.9 4.3 5 18.1 1.1853 0.855 1.406 9 96 21 21 0 0 0 0 0 0 0 15 21 12 0 0 0 0 0 23 52 45 68 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 2 0 0 1 2 1 0 2 3 2 0 3 0 2 0 10 10 0 0 0 0 0 3.908 9.8 -0.704 23.64 -0.615 -0.36 0.03 0.076 0 1 0 1 0 1 3-Methoxy Butanol C5H12O2 15.3 13.6 5.4 21.2 0.4037 0.917 1.415 0 17 5 4 0 0 0 0 0 0 0 1 4 7 1 1 0 0 0 4 2 7 9 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 2 4 3 1 2 2 3 1 2 1 1 1 1 1 2 0 1 0 11 11 0 0 0 1 0 4.686 16.56 1.633 17.64 0.217 -0.374 0.035 -0.054 0 1 1 0 1 1 Ethylene Glycol Mono n-Propyl Ether C5H12O2 16.1 13.5 8.7 22.7 0.4053 0.906 1.413 0 19 9 3 0 0 0 0 0 0 0 0 3 12 0 1 0 0 0 6 0 6 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 3 1 2 1 1 1 1 1 0 0 2 2 0 1 1 2 0 13 13 0 0 0 1 0 5.126 18.84 -2.184 19.3 -0.314 -0.433 0.088 -0.067 0 1 1 0 1 1 n-Butyl Propionate C7H14O2 15.7 5.9 5.5 17.7 1.7397 0.872 1.4 3 34 0 3 0 0 0 0 0 0 0 3 3 0 2 4 6 6 6 19 6 7 32 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 0 2 1 0 2 5 4 0 4 1 3 0 14 14 0 0 0 0 0 5.386 21 4.326 30.06 1.399 -0.477 0.256 -0.415 0 1 0 0 0 1 Ethyl Propionate C5H10O2 15.5 4.9 6.1 17.4 0.9595 0.891 1.381 4 20 0 4 0 0 0 0 0 0 0 4 4 0 0 5 5 5 5 5 5 0 11 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 0 1 3 3 0 2 1 2 0 10 10 0 0 0 0 0 4.443 18.75 6.777 20.92 1.331 -0.444 0.273 -0.539 0 1 0 0 0 1 3-Heptanol C7H16O 15.9 11.7 5.4 20.5 1.9475 0.821 1.422 0 4 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 3 0 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 2 1 1 0 0 1 4 0 0 3 6 4 0 5 2 3 0 15 15 0 0 0 1 0 5.549 16.8 2.702 36.49 0.964 -0.32 0.044 -0.08 0 1 1 0 0 1 Dibutyl Amine C8H19N 15 4.3 3 15.9 2.1762 0.762 1.415 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 2 1 1 1 1 3 2 1 3 1 2 0 12 12 0 0 0 0 0 4.298 11.82 2.829 28.2 2.025 -0.226 -0.015 0.025 0 0 0 0 1 1 Allyl Methacrylate C7H10O2 15.2 7.5 4.1 17.4 1.2917 0.923 1.436 6 2 0 1 0 0 0 0 0 6 6 1 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 1 0 4 3 4 0 0 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 1 0 1 0 9 9 0 0 0 0 0 4.9 20.95 2.561 5.04 -1.034 -0.455 0.305 -0.919 0 1 0 0 0 1 1,4-Dichlorobutane C4H8Cl2 18.3 2.8 7.7 20.1 2.2442 1.141 1.452 0 18 11 1 0 0 0 0 0 0 0 0 1 11 0 0 0 0 0 0 7 7 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 7 7 0 0 0 0 1 2.962 5.2 14.951 9.08 15.616 -0.164 -0.002 0.432 0 0 0 0 0 1 Oxetane C3H6O 16.7 5.4 10 20.2 0.4067 0.894 1.39 4 12 0 1 0 0 0 0 0 4 4 4 0 0 8 8 6 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0 1 0 0 0 1 1 0 1 0 1 0 7 7 0 0 0 0 0 3.205 10.21 3.302 7.32 2.43 -0.265 0.05 0.094 0 1 0 0 0 1 2,2-Dimethyl-1-Propanol C5H12O 15.6 13.5 6.5 21.6 1.0248 0.783 1.392 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 2 0 0 2 2 1 0 2 0 1 0 11 11 0 0 0 1 0 4.267 11.41 0.849 23.16 1.162 -0.264 0.017 -0.029 0 1 0 0 1 1 3-Methyl-2-Butanol C5H12O 15.6 13.4 5.2 21.2 1.0232 0.818 1.408 0 13 3 1 0 0 0 0 0 0 0 0 1 4 0 0 0 0 0 5 0 6 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 2 1 1 0 0 1 1 0 0 1 4 3 0 4 0 3 0 14 14 0 0 0 1 0 5.124 16.3 -0.759 31.78 0.581 -0.359 0.055 -0.032 0 1 0 0 1 1 Isobutyl Formate C5H10O2 15.5 6.7 6.5 18.1 0.8154 0.885 1.384 2 2 1 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 1 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 2 2 0 2 0 1 0 9 9 0 0 0 0 0 4.189 19.12 7.023 15.48 0.504 -0.472 0.273 -0.555 0 1 0 0 0 1 Isobutyric Acid C4H8O2 15.7 10.5 5.4 19.6 0.727 0.948 1.391 0 11 0 0 1 0 0 0 0 0 0 0 0 0 7 7 7 1 1 2 6 0 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 0 0 1 2 1 0 2 0 1 0 6 6 0 0 0 0 0 2.982 10.49 10.617 13.35 2.231 -0.313 0.206 -0.184 0 1 1 0 1 1 2-Heptanol C7H16O 15.7 11.7 5.4 20.3 1.9475 0.817 1.419 0 6 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 2 1 2 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 1 2 3 1 0 0 2 5 1 0 3 5 4 0 6 1 4 0 15 15 0 0 0 1 0 5.546 16.91 1.076 37.19 2.005 -0.299 0.048 0.005 0 1 1 0 1 1 Piperidine C5H11N 17.3 8.2 4.5 19.7 0.7599 0.858 1.453 0 4 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 2 1 1 2 2 2 0 2 0 1 0 11 11 0 0 0 0 0 3.753 9.4 4.432 23.42 1.14 -0.218 -0.016 0.101 0 0 1 0 1 1 Piperazine C4H10N2 17.3 6 4.8 18.9 -0.8208 0.874 -1.438 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 5 5 0 0 0 0 1 2.773 6.34 7.682 0.59 7.47 -0.239 0.168 0.021 0 1 1 0 1 1 Butyraldehyde C4H8O 15.6 6.2 10.1 19.6 0.9854 0.802 1.377 3 36 0 0 3 3 0 0 0 0 0 0 0 0 8 15 15 13 13 10 17 14 30 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 0 2 2 0 2 2 2 0 8 8 0 1 0 0 0 3.328 14.83 5.264 16.95 0.622 -0.296 0.117 -0.277 0 1 0 0 0 1 Pentanal C5H10O 15.7 5.8 9.4 19.2 1.3755 0.81 1.392 3 77 0 0 3 3 0 0 0 0 0 0 0 0 12 19 19 16 16 44 20 29 77 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 2 1 1 1 3 3 0 3 1 3 0 9 9 0 1 0 0 0 3.706 13.98 6.015 23.06 0.358 -0.291 0.097 -0.14 0 1 0 0 0 1 Methyl Cyclopentane C6H12 16 1 0 16 2.1965 0.749 1.407 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 5 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 0 0 0 2 3 0 0 3 4 2 0 4 0 2 0 13 13 0 0 0 0 0 4.635 11.33 2.454 30.79 1.362 -0.129 -0.037 0.08 0 0 0 0 0 1 1-Nonene C9H18 15.4 2.2 1 15.6 3.5329 0.729 1.413 31 24 0 0 0 0 0 0 0 31 31 19 0 0 0 0 0 0 0 1 3 1 6 0 0 0 0 0 0 0 0 0 0 2 1 0 0 5 0 0 0 1 2 0 0 0 2 6 0 0 5 7 2 0 7 1 2 0 14 14 0 0 0 0 0 5.094 12.87 14.678 34.21 7.028 -0.077 -0.005 0.237 0 0 0 0 0 0 Diisopropylamine C6H15N 14.8 3.5 1.7 15.3 1.3928 0.713 1.392 0 7 0 0 0 0 0 0 0 0 0 0 0 0 4 4 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 1 1 1 0 1 1 0 1 0 1 0 8 8 0 0 0 0 1 3.231 8.43 2.599 15.45 -0.878 -0.251 0.008 -0.01 0 1 1 0 1 1 4-Ethyl Morpholine C6H13NO 17.7 6.6 5 19.5 0.3385 0.99 1.442 0 20 5 5 0 0 0 0 0 0 0 0 5 5 6 11 11 9 9 0 11 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 3 3 1 1 0 2 0 3 2 0 1 1 2 1 1 1 0 10 10 0 0 0 0 0 4.054 14.84 1.975 8.71 0.278 -0.371 0.054 0.009 0 1 0 1 0 1 Propylene Imine C3H7N 17.8 6.5 8.4 20.7 -0.0219 0.802 1.41 0 17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 10 8 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 2 3 3 0 3 0 3 0 11 11 0 0 0 0 0 4.016 10.05 8.388 24.05 1.819 -0.186 -0.02 0.58 0 1 0 0 0 1 2-Propyn-1-ol C3H4O 16.1 18.8 8.7 26.2 -0.3881 0.963 1.43 2 6 0 2 0 0 0 0 0 0 0 2 2 0 3 4 4 3 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 2 1 1 0 0 1 0 1 1 0 0 0 1 0 0 0 0 6 6 0 0 0 1 0 3.627 12.6 1.951 5.11 0.958 -0.367 0.04 -0.305 0 1 0 0 1 1 Hexanal C6H12O 15.8 5.3 8.4 18.7 1.7656 0.814 1.402 1 4 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 3 1 1 4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 2 0 0 0 2 2 1 1 1 4 3 0 4 1 3 0 13 13 0 1 0 0 0 4.956 19.34 8.158 32.93 0.421 -0.313 0.12 -0.368 0 1 0 0 0 1 Hexamethyldisiloxane C6H18OSi2 12.6 0 2 12.8 2.6728 0.76 1.378 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 8 8 0 0 0 0 1 3.391 9.45 12.286 22.76 -0.46 -0.366 0.133 0.295 0 1 0 0 0 1 1-Bromopropane C3H7Br 16.4 4.8 7.9 18.8 1.7913 1.354 1.432 0 12 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 5 5 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 2 0 0 2 3 2 0 3 1 2 0 11 11 0 0 0 0 0 3.873 8.58 22.1 22.2 9.591 -0.069 0.017 0.546 0 0 0 0 0 1 2-Bromopropane C3H7Br 15.5 4.7 8.3 18.2 1.7897 1.314 1.422 0 7 5 5 0 0 0 0 0 0 0 2 5 5 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 7 7 0 0 0 0 1 2.872 5.33 23.881 11.21 15.696 -0.174 0.031 0.714 0 0 0 0 0 1 Octamethyltrisiloxane C8H24O2Si3 12.2 0 1.8 12.3 3.3912 0.82 1.385 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 4 3 14 14 0 0 0 0 0 4.976 13.84 25.133 34.11 -0.175 -0.442 0.254 0.683 0 1 0 0 0 1 1,3-Bis(Trifluoromethyl)Benzene C8H4F6 17 0 6.8 18.3 3.7242 1.394 -1.387 11 0 0 0 0 0 0 0 11 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 5 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 1 3.766 6.24 4.188 4.33 8.144 -0.177 0.351 -0.898 1 0 0 1 0 1 Alpha,Alpha,A-Trifluoro Toluene C7H5F3 17.5 0 8.8 19.6 2.7054 1.183 -1.428 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3.836 6.96 7.489 -0.75 3.889 -0.144 0.281 -0.755 1 0 0 1 0 1 Pentachloro Ethane C2HCl5 18.2 2.4 3.2 18.6 3.1603 1.68 1.501 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 2.736 6.85 33.103 0.48 29.869 -0.179 0.185 0.907 0 0 0 0 0 1 Phenyl Acetylene C8H6 18.8 4 2.8 19.4 1.6679 0.93 1.547 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 4 4 4 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 3.922 11.22 0.856 0.9 -1.262 -0.193 0.04 -0.914 1 0 0 1 0 1 1,2-Dichloropropane C3H6Cl2 17.3 2.9 7.1 18.9 1.8525 1.156 1.437 10 20 8 15 0 0 0 0 0 0 0 12 15 8 0 0 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 0 1 1 2 1 2 2 0 1 1 2 1 0 1 0 8 8 0 0 0 0 0 3.212 10.3 15.632 13.65 12.396 -0.299 0.082 0.374 0 0 0 0 0 1 o-Chlorotoluene C7H7Cl 19 2.3 4.9 19.8 2.64842 1.082 1.523 31 1 0 0 0 0 0 31 31 31 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 6 5 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 8 8 0 0 0 0 0 4.778 10.61 11.4 3.4 7.444 -0.111 0.014 -0.574 1 0 0 1 0 1 Pyrimidine C4H4N2 20.5 11.3 9.4 25.2 0.4766 1.079 1.5 12 0 0 0 1 0 3 6 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 3.328 14.84 0.499 -0.24 -0.292 -0.245 0.118 -0.888 1 1 0 1 0 1 Di-sec-Butyl Ether C8H18O 15.2 3.3 3.5 15.9 2.6 0.759 1.393 0 38 0 0 0 0 0 0 0 0 0 0 0 8 0 2 0 0 0 21 0 9 37 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 0 0 1 0 0 1 3 2 0 2 1 2 0 12 12 0 0 0 0 0 4.527 12.61 3.401 30.18 4 -0.334 0.025 -0.027 0 1 0 0 0 1 Cycloheptane C7H14 17.1 1.9 1.4 17.3 2.7307 0.811 1.442 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 6 6 0 0 0 0 1 2.827 6.58 8.586 10.79 5.456 -0.135 0.004 0.049 0 1 0 0 0 1 n-Propyl Propanoate C6H12O2 15.5 5.7 5.6 17.4 1.3496 0.877 1.392 3 29 1 3 0 0 0 0 0 0 0 3 3 0 2 6 6 6 6 9 7 10 27 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 2 1 0 1 4 4 0 2 1 3 0 12 12 0 0 0 0 0 5.05 20.35 4.644 25.67 0.646 -0.474 0.281 -0.511 0 1 0 0 0 1