dD,Ac,Bs
dD,dP,Ac*Bs
sq(dD^2+dP^2),Ac,Bs
No. Solvent δD δP δH yEDL26 yEAL26 Score RED MVol CAS SMILES Remarks 58 benzyl alcohol 18.74 5.78 12.28 10.49 13.8 1 - 103.2 100-51-6 OCC1=CC=CC=C1 - 59 Benzyl Butyl Phthalate 18.03 6.37 3.46 7.18 5.05 1 - 277.9 85-68-7 CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 - 102 butyl acetate 15.93 4.45 5.9 9.21 6.06 1 - 131.9 123-86-4 CC(OCCCC)=O - 115 gamma-butyrolactone 17.63 15.59 7.4 11.39 10.26 1 - 77.5 96-48-0 O=C1CCCO1 - 202 diethylene glycol dimethyl ether 15.66 5.93 6.92 16.07 5.24 1 - 144.2 111-96-6 COCCOCCOC - 213 dibenzyl ether 18.57 3.12 3.93 7.55 5.04 1 - 190.9 103-50-4 C1(COCC2=CC=CC=C2)=CC=CC=C1 - 221 dibutyl phthalate 17.13 6.67 3.25 7.09 5.02 1 - 267.3 84-74-2 O=C(OCCCC)C1=CC=CC=C1C(OCCCC)=O - 222 dibutyl sebacate 16.24 2.82 4.07 10.01 6.6 1 - 337.7 109-43-3 O=C(OCCCC)CCCCCCCCC(OCCCC)=O - 223 butyl stearate 16.04 1.83 2.59 9.23 6.07 1 - 397.8 123-95-5 O=C(OCCCC)CCCCCCCCCCCCCCCCC - 258 diethyl phthalate 17.36 8.74 3.89 7.09 5.02 1 - 198 84-66-2 O=C(OCC)C1=CC=CC=C1C(OCC)=O - 263 diethylene glycol 17.26 10.62 20.98 15.56 15.09 1 - 95 111-46-6 OCCOCCO - 264 Diethylene Glycol Butyl Ether Acetate 16.11 4.73 5.89 16.17 6.4 1 - 210.3 124-17-4 CCCCOCCOCCOC(=O)C - 265 Diethylene Glycol Hexyl Ether 16.28 5.64 10.23 16.24 13.9 1 - 203.6 112-59-4 CCCCCCOCCOCCO - 267 diethylene glycol monobutyl ether 16.26 6.19 11.77 16.24 13.9 1 - 170.9 112-34-5 CCCCOCCOCCO - 268 2-(2-ethoxyethoxy)ethanol 16.23 7.33 12.17 16.24 13.9 1 - 136.3 111-90-0 CCOCCOCCO - 269 diethylene glycol ethyl ether acetate 16.05 5.48 6.61 16.17 6.4 1 - 175.6 112-15-2 CC(OCCOCCOCC)=O - 270 2-(2-methoxyethoxy)ethanol 16.37 7.92 13.45 16.24 13.9 1 - 119 111-77-3 OCCOCCOC - 279 diisodecyl phthalate 16.53 3.96 1.9 7.09 5.02 1 - 466.2 26761-40-0 O=C(OCCCCCCCC(C)C)C1=CC=CC=C1C(OCCCCCCCC(C)C)=O - 281 Di-Isononyl Adipate 16.02 2.11 3.07 10.04 6.61 1 - 437 33703-08-1 CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C - 282 Di-Isononyl Phthalate 16.55 4.11 1.97 7.09 5.02 1 - 432.6 28553-12-0 O=C(OCCCCCCC(C)C)C1=C(C(OCCCCCCC(C)C)=O)C=CC=C1 - 291 1,2-dimethoxyethane 15.37 6.19 6.98 14.87 5.1 1 - 105 110-71-4 COCCOC - 300 dimethyl phthalate 17.77 10.16 4.68 7.09 5.02 1 - 163.4 131-11-3 O=C(OC)C1=CC=CC=C1C(OC)=O - 305 dioctyl phthalate 16.77 4.57 2.31 7.09 5.02 1 - 399.3 117-84-0 CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC - 306 1,4-dioxane 17.4 7.96 8.39 9.86 6.99 1 - 85.1 123-91-1 C1COCCO1 - 307 1,3-Dioxolane 17.35 9.15 8.78 9.86 6.99 1 - 68.7 646-06-0 C1OCOC1 - 311 Dipropylene Glycol Monomethyl Ether Acetate 16.15 6.11 5.87 9.86 6.55 1 - 193.7 88917-22-0 COCCCOCCCOC(C)=O - 328 ethyl acetate 15.75 5.8 7.26 9.26 6.12 1 - 97.3 141-78-6 CC(OCC)=O - 346 2-ethylhexyl acetate 15.9 3.15 4.26 9.28 6.12 1 - 198.4 103-09-3 O=C(OCC(CC)CCCC)C - 353 ethyl lactate 16.66 7.6 13.88 11.5 13.15 1 - 113.9 97-64-3 CCOC(=O)C(C)O - 363 ethylene carbonate 18.31 22.09 5.1 11.5 11.96 1 - 64.8 96-49-1 O=C1OCCO1 - 368 ethylene glycol 17.71 12.85 25.24 11.18 15.04 1 - 55.8 107-21-1 OCCO - 369 Ethylene Glycol Butyl Ether Acetate 16.05 4.66 5.94 15.12 6.29 1 - 171.1 112-07-2 CCCCOCCOC(=O)C - 371 ethylene glycol diacetate 16.61 6.4 8.64 10.01 6.59 1 - 134.5 111-55-7 CC(OCCOC(C)=O)=O - 373 Ethylene Glycol Mono 2-Ethyl Hexyl Ether 16.08 4.66 9.49 15.27 13.87 1 - 198.2 1559-35-9 CCCCC(CC)COCCO - 376 2-ethoxyethanol cellosolve 16.13 7.98 14.19 15.27 13.87 1 - 97.1 110-80-5 CCOCCO - 377 2-ethoxyethyl acetate 15.96 5.62 6.87 15.13 6.32 1 - 136.4 111-15-9 CCOCCOC(=O)C - 380 2-methoxyethanol methyl cellosolve 16.32 8.89 16.15 15.24 13.85 1 - 79.9 109-86-4 COCCO - 381 Ethylene Glycol Monomethyl Ether Acetate 16.07 6.08 7.65 15.1 6.29 1 - 119.2 110-49-6 COCCOC(C)=O - 438 isophorone 17.24 5.74 3.64 10.79 6.76 1 - 149.9 78-59-1 CC(CC(C)=CC1=O)(C1)C - 440 isopropyl acetate 15.61 4.72 5.79 9.28 6.05 1 - 115.3 108-21-4 CC(OC(C)C)=O - 464 methyl acetate 15.88 6.5 8.42 9.17 6.05 1 - 80 79-20-9 CC(OC)=O - 472 methyl benzoate 17.9 7.72 4.72 6.86 4.74 1 - 126 93-58-3 O=C(OC)C1=CC=CC=C1 - 504 methyl salicylate 18.49 9.5 9.89 7.47 17.93 1 - 128.7 119-36-8 O=C(OC)C1=CC=CC=C1O - 528 glyceryl triacetate 16.81 5.86 8.46 10.38 6.85 1 - 188.7 102-76-1 CC(OCC(OC(C)=O)COC(C)=O)=O - 560 2-Phenoxy Ethanol 18.65 7.17 12.29 10.6 13.89 1 - 125.1 122-99-6 OCCOC1=CC=CC=C1 - 569 propyl alcohol 1-Propanol 15.91 7.39 14.99 10.27 13.75 1 - 75.5 71-23-8 CCCO - 579 propyl acetate 15.84 4.89 6.36 9.27 6.1 1 - 114.8 109-60-4 CC(OCCC)=O - 584 Propylene Carbonate 17.65 19.21 7.16 11.41 11.98 1 - 85.3 108-32-7 O=C1OC(C)CO1 - 587 Propylene Glycol Monobutyl Ether 16.22 5.78 10.17 11.17 13.03 1 - 150.4 5131-66-8 CCCCOCC(C)O - 591 Propylene Glycol Monomethyl Ether 16.32 7.92 13.4 11.15 13.03 1 - 98.4 107-98-2 OC(C)COC - 592 Propylene Glycol Monomethyl Ether Acetate 16.04 5.61 6.64 9.63 6.38 1 - 136.9 108-65-6 CC(COC)OC(=O)C - 593 Propylene Glycol Monophenyl Ether 18.36 6.19 11.39 11.11 13.02 1 - 142.5 770-35-4 CC(COC1=CC=CC=C1)O - 594 Propylene Glycol Monopropyl Ether 16.18 6.27 10.97 11.19 13.04 1 - 133.3 1569-01-3 CCCOCC(C)O - 641 Tri-n-Butyl Phosphate 16.45 7.7 4.78 10.39 9.57 1 - 276.1 126-73-8 CCCCOP(=O)(OCCCC)OCCCC - 653 Tricresyl Phosphate 19.08 7.03 4.36 10.39 9.64 1 - 308.9 1330-78-5 O=P(OC2=C(C)C=CC=C2)(OC3=C(C)C=CC=C3)OC1=C(C)C=CC=C1 - 657 triethylene glycol 17.04 9.37 17.74 16.24 15.09 1 - 134.2 112-27-6 OCCOCCOCCO - 659 triethyl phosphate 16.49 10.57 6.63 10.39 9.62 1 - 172.1 78-40-0 O=P(OCC)(OCC)OCC - 666 2,2,4-Trimethyl-1,3-Pentanediol Monoisobutyrate 15.92 3.6 7.01 11.51 13.13 1 - 235 25265-77-4 CC(C)C(C(C)(C)COC(=O)C(C)C)O - 718 butyl benzoate 17.37 5.81 3.72 6.88 4.75 1 - 177.9 136-60-7 O=C(C1=CC=CC=C1)OCCCC - 731 Ethylene Glycol Mono Benzyl Ether 18.12 5.9 11.04 15.33 13.88 1 - 142.4 622-08-2 C1=CC=C(C=C1)COCCO - 757 diethylene glycol dibutyl ether 15.81 3.95 4.44 16.07 5.24 1 - 248.1 112-73-2 CCCCOCCOCCOCCCC - 758 Ethylene Glycol Dibutyl Ether 15.7 3.71 4.07 14.88 5.1 1 - 208.9 112-48-1 CCCCOCCOCCCC - 762 diethylene glycol diethyl ether 15.57 5.18 5.6 16.07 5.24 1 - 178.7 112-36-7 CCOCCOCCOCC - 856 Triethylene Glycol Monomethyl Ether 16.37 7.4 11.86 16.57 13.9 1 - 158.2 112-35-6 OCCOCCOCCOC - 903 benzyl acetate 17.95 4.17 5.98 9.46 6.18 1 - 142.5 140-11-4 CC(OCC1=CC=CC=C1)=O - 954 ethyl benzoate 17.59 7.03 4.21 6.92 4.79 1 - 143.3 93-89-0 O=C(OCC)C1=CC=CC=C1 - 1001 3-Methoxy Butyl Acetate 16.06 5.25 6.11 9.65 6.38 1 - 153.7 4435-53-4 CC(CCOC(=O)C)OC - 1003 3-Methoxy Butanol 16.2 7.21 12.4 10.67 13.9 1 - 114.3 2517-43-3 OCCC(OC)C - 1007 Dipropylene Glycol Mono n-Butyl Ether 16.23 5.38 8.57 11.35 13.11 1 - 207.3 29911-28-2 CCCCOCC(C)OCC(C)O - 1008 Dipropylene Glycol Mono n-Propyl Ether 16.2 5.69 9.06 11.35 13.11 1 - 190.2 29911-27-1 CCCOCC(C)OCC(C)O - 1020 tributyl borate 15.73 1.37 4.25 28.63 2.42 1 - 274.2 688-74-4 CCCCOB(OCCCC)OCCCC - 1056 Ethylene Glycol Mono n-Hexyl Ether 16.24 5.64 11.45 15.25 13.85 1 - 164.4 112-25-4 CCCCCCOCCO - 1069 dihexyl ether 15.78 2.9 2.96 7.08 4.82 1 - 235 112-58-3 CCCCCCOCCCCCC - 1122 diphenyl ether 19.25 3.73 4.66 6.34 4.53 1 - 156.6 101-84-8 C1(OC2=CC=CC=C2)=CC=CC=C1 - 1137 Tri-n-Butyl Acetyl Citrate 16.53 3.45 5.45 10.38 6.85 1 - 391.2 77-90-7 CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C - 1138 Di-(2-Ethyl Hexyl) Sebacate 16.12 2.02 2.97 10.03 6.62 1 - 470.6 122-62-3 CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC - 1139 Di-(2-EthylHexyl)Azelate 16.14 2.29 3.12 10.03 6.62 1 - 453.8 103-24-2 CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC - 1140 Diisobutyl Adipate 15.93 3.19 4.37 10.04 6.61 1 - 273.2 141-04-8 CC(C)COC(=O)CCCCC(=O)OCC(C)C - 1149 benzyl benzoate 18.68 5.47 3.99 7.05 4.83 1 - 188.5 120-51-4 O=C(OCC2=CC=CC=C2)C1=CC=CC=C1 - 1150 triphenyl phosphate 19.42 7.74 5.51 10.39 9.68 1 - 260.2 115-86-6 O=[P](OC2=CC=CC=C2)(OC3=CC=CC=C3)OC1=CC=CC=C1 - 1218 Triethyl Citrate 16.82 5.9 9.92 12.9 12.83 1 - 244.4 77-93-0 OC(CC(OCC)=O)(C(OCC)=O)CC(OCC)=O - 1219 Acetyl Triethyl Citrate 16.57 4.7 6.89 10.38 6.85 1 - 287.2 77-89-4 CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C - 1220 Tri-n-Butyl Citrate 16.7 4.33 7.61 12.9 12.83 1 - 348.4 77-94-1 CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O - 5529 Propyl banzoate 17.46 6.26 3.85 6.92 4.78 1 - 160.9 2315-68-6 O=C(C1=CC=CC=C1)OCCC - 5540 Bis (2-ethylhexyl)phthalate 16.71 5.1 2.43 7.09 5.02 1 - 400.2 117-81-7 O=C(OCC(CC)CCCC)C1=CC=CC=C1C(OCC(CC)CCCC)=O - 5544 isopentyl isovalerate 15.52 2.96 3.82 9.34 6.09 1 - 201.3 659-70-1 CC(C)CC(OCCC(C)C)=O - 6408 Ethyl trans-cinnamate 17.93 3.72 5.2 9.51 6.22 1 - 171.2 4192-77-2 O=C(OCC)/C=C/C1=CC=CC=C1 - 7141 hexylene glycol 16.65 6.65 15.68 12.84 14 1 - 121.6 107-41-5 C[C@](O)(C)CC(O)C - 7273 diethyl succinate 16.33 5.54 7.13 10.03 6.62 1 - 169 123-25-1 O=C(CCC(OCC)=O)OCC - 7283 triethylene glycol dimethyl ether 15.8 5.78 6.77 16.57 5.24 1 - 183.4 112-49-2 COCCOCCOCCOC - 7284 tetraethylene glycol 16.91 8.62 15.59 16.57 15.09 1 - 173.3 112-60-7 OCCOCCOCCOCCO - 7301 tetraethylene glycol dimethyl ether 15.89 5.68 6.63 16.57 5.24 1 - 222.5 143-24-8 COCCOCCOCCOCCOC - 7781 dodecylbenzene 16.72 1.33 1.89 5.75 3.21 1 - 288.8 123-01-3 CCCCCCCCCCCCC1=CC=CC=C1 - 7962 Dibutyl tartrate 17.06 6.35 12.87 12.07 14.2 1 - 239 87-92-3 O=C(OCCCC)[C@H](O)[C@@H](O)C(OCCCC)=O - 8012 Ethanol,2-2-(2-ethoxyethoxy)ethoxy]- 16.27 6.96 10.95 16.57 13.9 1 - 175.4 112-50-5 OCCOCCOCCOCC - 8062 2-Propanol-1,1'-oxybis- 16.99 8.23 16.94 11.92 14.15 1 - 131 110-98-5 CC(O)COCC(O)C - 8064 alpha-Terpineol 17.07 3.69 8 12.07 12.48 1 - 166.3 98-55-5 CC(O)(C1CCC(C)=CC1)C - 8152 dibutyl adipate 16.28 3.45 4.88 10.01 6.6 1 - 271.7 105-99-7 O=C(CCCCC(OCCCC)=O)OCCCC - 8556 Acetic acid, cyclohexyl ester 16.89 3.6 5.26 9.22 6.12 1 - 145.3 622-45-7 CC(OC1CCCCC1)=O - 8560 Hexanedioic acid dimethyl ester 16.44 4.97 6.94 9.99 6.59 1 - 167.8 627-93-0 O=C(OC)CCCCC(OC)=O - 9599 BUTYL PHENYL ETHER 17.55 3.66 4.26 6.11 4.45 1 - 161.9 1126-79-0 CCCCOC1=CC=CC=C1 - 9847 ISOPENTYL BENZOATE 17.06 5.25 3.32 6.93 4.76 1 - 194.6 94-46-2 O=C(OCCC(C)C)C1=CC=CC=C1 - 11525 isopropyl benzoate 17.3 6.09 3.44 6.93 4.74 1 - 161.3 939-48-0 CC(C)OC(=O)C1=CC=CC=C1 - 16601 TRIPROPYLENE GLYCOL MONOMETHYL ETHER 16.23 6.01 8.92 10.85 13.97 1 - 211.4 25498-49-1 OCC(OC(COC(C)COC)C)C - 16615 DIPROPYLENE GLYCOL MONOMETHYL ETHER 16.22 6.67 10.65 10.85 13.97 1 - 154.5 34590-94-8 OCC(OCC(OC)C)C - 16731 2-Ethyl-12-hexanediol 16.5 5.93 14.14 11.68 14.9 1 - 158.7 94-96-2 OCC(C(O)CCC)CC - 16814 1,2-DIMETHOXYPROPANE 15.46 5.59 5.13 7.59 5.22 1 - 122.8 7778-85-0 CC(OC)COC - 16894 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE 15.74 2.33 2.93 10.04 6.59 1 - 308.8 6846-50-0 CC(C)C(=O)OCC(C)(C)C(C(C)(C))OC(=O)C(C)(C) - 16897 DI(2-ETHYLHEXYL)ADIPATE 16.13 2.36 3.41 10.03 6.62 1 - 404.6 103-23-1 CCCCC(COC(CCCCC(OCC(CCCC)CC)=O)=O)CC - 16908 2-(2-(2-BUTOXYETHOXY)ETHOXY)ETHANOL 16.29 6.09 10.54 16.57 13.9 1 - 210.1 143-22-6 OCCOCCOCCOCCCC - 17105 Terpineol 17.07 3.69 8 12.07 12.48 1 - 166.3 10482-56-1 CC1=CCC(CC1)C(C)(C)O - 17392 alpha-dihydroterpineol 16.78 3.53 6.97 12.14 12.42 1 - 173.4 498-81-7 CC1CCC(CC1)C(C)(C)O - 17519 propylene glycol diacetate 16.47 5.5 7.71 9.99 6.59 1 - 151 623-84-7 CC(COC(=O)C)OC(=O)C - 18196 hexyl benzoate 17.21 5.2 3.46 6.88 4.75 1 - 210.6 6789-88-4 CCCCCCOC(=O)C1=CC=CC=C1 - 19489 hydroxymethyl hexyl ethyl ketone 16.46 2.52 3.46 9.41 6.05 1 - 216.2 58985-18-5 CC1CCC(CC1)C(C)(C)OC(=O)C - 20644 Phosphoric acid, tris(2-ethylhexyl) ester 16.19 4.86 2.88 10.39 9.62 1 - 475.5 78-42-2 O=P(OCC(CC)CCCC)(OCC(CCCC)CC)OCC(CCCC)CC - 20645 Ethanol, 2-butoxy-, phosphate (3:1) 16.5 7.7 5.89 10.39 9.88 1 - 397.1 78-51-3 O=P(OCCOCCCC)(OCCOCCCC)OCCOCCCC - 20767 Phosphoric acid, 2-ethylhexyl diphenyl ester 17.95 6.52 4.37 10.39 9.68 1 - 331.9 1241-94-7 O=P(OCC(CC)CCCC)(Oc1ccccc1)Oc2ccccc2 - 20821 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester 16.65 5.24 2.28 7.24 5.15 1 - 555.5 3319-31-1 O=C(OCC(CC)CCCC)c1cc(ccc1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC - 20907 Phosphoric acid, methylphenyl diphenyl ester 19.42 7.83 5.44 10.39 9.73 1 - 275.7 26444-49-5 O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccc(cc3)C - 21144 tri(dimethylphenyl)phosphate 19.01 6.74 4.43 10.39 9.56 1 - 355.9 25155-23-1 O=P(Oc1cc(cc(c1)C)C)(Oc2cc(cc(c2)C)C)Oc3cc(cc(c3)C)C - 21434 Ethylphthalyl ethylglycolate 17.48 8.56 5.18 9.74 6.5 1 - 235.7 84-72-0 O=C(OCC(=O)OCC)c1ccccc1C(=O)OCC - 22263 ((BUTOXYMETHYLETHOXY)METHYLETHOXY)PROPAN-1-OL 16.15 5.09 7.37 11.35 13.11 1 - 265.5 55934-93-5 OC(CC)OC(C)COC(C)COCCCC - 22306 Abietic acid, ethyl ester 17.28 2.01 2.83 9.38 6.26 1 - 345.3 631-71-0 O=C(OCC)[C@]3([C@@H]2C/C=C1/C=C(\CC[C@@H]1[C@@]2(C)CCC3)C(C)C)C - 22307 1-(2-(2-methoxyethoxy)ethoxy)butane 15.76 4.71 5.36 16.07 5.24 1 - 196.1 7382-32-3 O(CCCC)CCOCCOC - 22308 TRIPROPYLENE GLYCOL dimethyl ether 15.86 4.75 4.32 7.87 5.41 1 - 236.5 42769-21-1 CC(COC(COC(COC)C)C)OC - 22309 TRIPROPYLENE GLYCOL butyl methyl ether 15.89 4.03 3.74 7.87 5.41 1 - 288.5 7382-30-1 CC(COC(COC(COC)C)C)OCCCC - 22310 2,4-Diethyl-1,5-pentanediol 16.46 5.7 13.01 11.2 15.06 1 - 172 57987-55-0 OCC(CC(CC)CO)CC - 22311 2-{2-[(2-Ethylhexyl)oxy]ethoxy}ethanol 16.14 4.8 8.77 16.24 13.9 1 - 237.4 1559-36-0 O(CC(CCCC)CC)CCOCCO - 22312 1,3-Diacetoxybutane 16.45 5.18 7.13 10.01 6.59 1 - 167.8 1117-31-3 O=C(OCCC(OC(=O)C)C)C - 22313 dipropylene glycol dimethyl ether 15.73 5.06 4.64 7.87 5.41 1 - 179.7 111109-77-4 COCC(C)OCC(C)OC - 22314 1-Ethoxy-2-(2-methoxyethoxy)ethane 15.61 5.52 6.2 16.07 5.24 1 - 161.5 1002-67-1 O(CCOCCOCC)C - 22315 Methyl acetyl ricinoleate 16.45 2.83 3.93 10.01 6.63 1 - 378 140-03-4 O=C(O[C@H](CCCCCC)C/C=C\CCCCCCCC(=O)OC)C - 22316 Adipic acid bis(2-(2-butoxyethoxy)ethyl) ester 16.31 3.97 6.25 16.57 6.7 1 - 428.3 141-17-3 O=C(OCCOCCOCCCC)CCCCC(=O)OCCOCCOCCCC - 22319 Tripentyl borate 15.88 1.37 3.99 28.63 2.42 1 - 321.8 621-78-3 O(B(OCCCCC)OCCCCC)CCCCC - 22321 Amyl stearate 16.06 1.81 2.58 9.23 6.07 1 - 413.6 6382-13-4 O=C(OCCCCC)CCCCCCCCCCCCCCCCC - 22322 BIS(ETHYLHEXANOATE) TRIETHYLENE GLYCOL 16.18 3.27 4.27 16.17 6.7 1 - 417.8 94-28-0 O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC - 1198 nicotine 18.33 5.06 5.04 16.55 6.52 6 - 160 _54-11-5 CN1CCCC1c2cccnc2 - 8192 N-nitrosodimethylamine 15.42 9.23 6.45 15.23 8.08 6 - 79.4 62-75-9 CN(C)N=O - X N-nitrosodiethylamine 15.35 7.16 4.94 15.32 8.12 4 - 113.9 55-18-5 CCN(CC)N=O - X hydrazine 17.97 14.67 21.87 17.17 7.92 6 - 35.5 206-114-9 NN - 396 formaldehyde 12.82 13.71 15 9.71 10.94 4 - 36.9 50-00-0 C=O - 22 acrolein 16 11.01 7.25 9.79 7.55 6 - 66.9 107-02-8 C=CC=O - 1 acetaldehyde 15.77 13.1 8.08 9.74 7.39 4 - 54.7 75-07-0 CC=O - X N-nitrosoethylmethylamine 16.29 8.98 8.45 16.33 8.44 6 - 90.9 10595-95-6 CNCCN=O - X N-nitrosopyrrolidine 17.08 7.41 6.97 15.42 8.42 4 - 92.6 213-218-8 O=NN1CCCC1 - X ammonia 13.84 16.69 18.78 17.04 12.6 4 - 25 231-635-3 N - 598 pyridine 19.06 7.53 6.7 13.76 6.04 4 - 80 110-86-1 c1ccncc1 - 904 catechol 19.5 7.52 17.91 7.55 19.51 4 - 94 120-80-9 Oc1ccccc1O - 559 phenol 18.9 5.27 11.86 7.12 17.83 4 - 91.3 108-95-2 Oc1ccccc1 - X fluoranthene 20.2 1.28 3.96 6.8 4.99 4 - 161.5 205-912-4 c1ccc2c(c1)c3cccc4cccc2c34 - X N'-nitrosonornicotine 18.61 7.85 6.01 16.55 8.62 4 - 152.1 635-909-7 O=NN1CCCC1c2cccnc2 - 9036 2-naphtylamine 20.55 5.27 9.15 14.17 10.97 4 - 127.6 91-59-8 C1=CC=C2C=C(C=CC2=C1)N - 683 vinyl chloride 15.74 4.78 3.14 2.74 4.13 4 - 66.7 _75-01-4 ClC=C - 318 epichlorohydrin 17.74 9.38 6.67 9.6 7.91 6 - 78.4 106-89-8 ClCC1CO1 - 873 dichlorodiphenyltrichloroethane 18.83 2.05 1.8 6.18 3.55 4 - 260.6 50-29-3 Cl[ClH]C(Cl)(Cl)C(Cl)(c1ccccc1)c2ccccc2 - 234 o-dichlorobezene 19.27 4.71 3.45 4.32 4.3 4 - 114.4 95-50-1 c1ccc(c(c1)Cl)Cl - 20514 3,3'-dimethylbenzidine 20.04 5.39 9.28 15.34 11.8 4 - 190.8 119-93-7 Cc1cc(ccc1N)c2ccc(N)c(C)c2 - 46 aniline 19.39 5.45 10.32 14.13 10.83 4 - 92.6 62-53-3 Nc1ccccc1 - 11548 benzo［a］pyrene 21.32 4.19 4.46 7.88 2.16 4 - 189.1 50-32-8 c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45 - 122 carbon tetrachloride 17.78 2.83 1.73 2.42 3.34 4 - 93.3 56-23-5 ClC(Cl)(Cl)Cl - 649 trichloroethylene 17.79 5.86 2.16 1.33 4.33 4 - 90.1 _79-01-6 ClC=C(Cl)Cl - 239 vinylidene dichloride 16.5 5.3 1.84 2.74 4.28 4 - 78.7 75-35-4 ClC(Cl)=C - 648 1,1,2-trichloroethane 17.61 6.82 4.32 3.55 6.46 4 - 93.6 79-00-5 ClCC(Cl)Cl - 3665 hexachloro-1,3-butadiene 18.35 5.39 1.06 1.3 4.33 4 - 153.2 87-68-3 ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl - 488 methyl iodide 18.59 5.45 4.37 4.85 5.5 4 - 62.7 74-88-4 CI - 52 benzen 18.47 3.71 4.8 3 2.16 4 - 85.2 71-43-2 c1ccccc1 - 25 Acrylonitrile 15.92 14.49 6.69 8.65 9.2 6 - 65.6 107-13-1 C=CC#N - 156 Chloroform 17.65 4.47 5.26 2.26 9.29 4 - 76.3 65-49-6 ClC(Cl)Cl -