No. Solvent δD δP δH yED26 yEA26 Score RED MVol CAS SMILES Remarks 52 benzene 18.47 3.71 4.8 0.64 4.41 1 - 85.2 71-43-2 C1=CC=CC=C1 - 697 p-xylene 18.16 3.25 3.63 4.52 4.54 1 - 120.3 106-42-3 CC1=CC=C(C)C=C1 - 122 carbon tetrachloride 17.78 2.83 1.73 0.64 3.96 1 - 93.3 56-23-5 ClC(Cl)(Cl)Cl - 637 toluene 17.96 2.44 3.55 4.59 4.22 1 - 104.8 108-88-3 CC1=CC=CC=C1 - 156 chloroform 17.65 4.47 5.26 0.64 8.87 1 - 76.3 67-66-3 ClC(Cl)(Cl)[H] - 451 mesitylene 17.93 2.63 3.1 5.34 3.61 1 - 136.7 108-67-8 CC1=CC(C)=CC(C)=C1 - 181 cyclohexane 16.7 1.97 3.57 3.72 3.11 1 - 103 110-82-7 C1CCCCC1 - 545 oleic acid 16.39 3.23 5.7 7.12 9.13 1 - 317.9 112-80-1 O=C(O)CCCCCCCC([H])=C(CCCCCCCC)[H] - 46 aniline 19.39 5.45 10.32 11.59 7.5 0 - 92.6 62-53-3 NC1=CC=CC=C1 - 196 decane 15.58 0.1 0.1 0.64 0.64 1 - 194.7 124-18-5 CCCCCCCCCC - 105 butylamine 15.91 4.42 7.41 13.1 5.9 1 - 98.8 109-73-9 CCCCN - 409 heptane 15.25 0.1 0.1 0.64 0.64 1 - 145 142-82-5 CCCCCCC - 148 chlorobenzene 18.79 3.72 3.84 3.01 4.72 1 - 101.5 108-90-7 ClC1=CC=CC=C1 - 417 hexane 15.09 0.1 0.1 0.64 0.64 1 - 127.4 110-54-3 CCCCCC - 617 tetrahydrofuran THF 16.47 4.07 5.23 7.55 5 1 - 76.8 109-99-9 C1CCOC1 - 255 diethyl ether 14.81 5.12 4.3 6.56 5.15 1 - 100.4 60-29-7 CCOCC - 542 1-octanol 16.05 4.62 11.1 9.72 9.97 1 - 158.6 111-87-5 CCCCCCCCO - 550 pentane 15.07 0.1 0.1 0.64 0.64 1 - 110.1 109-66-0 CCCCC - 524 dichloromethane methylene chloride 17.23 7.96 7.68 2.06 9.53 1 - 61.9 _75-09-2 [H]C(Cl)(Cl)[H] - 160 o-chlorophenol 19.38 6.2 10.36 5.18 13.08 1 - 104.2 95-57-8 OC1=CC=CC=C1Cl - 328 ethyl acetate 15.75 5.8 7.26 7.29 5.98 0 - 97.3 141-78-6 CC(OCC)=O - 58 benzyl alcohol 18.74 5.78 12.28 8.67 11.51 0 - 103.2 100-51-6 OCC1=CC=CC=C1 - 92 butanol 1-Butanol, Butyl Alcohol 16.03 6.45 18.34 14.12 13.11 0 - 92.6 71-36-3 CCCCO - 856 Triethylene Glycol Monomethyl Ether 16.37 7.4 11.86 16.1 6.06 0 - 158.2 112-35-6 OCCOCCOCCOC - 531 nitrobenzene 19.18 7.87 4.82 5.85 6.53 0 - 105 98-95-3 O=[N+]([O-])C1=CC=CC=C1 - 11 acetophenone 18.8 7.04 4.26 6.94 5.88 0 - 117.5 98-86-2 CC(C1=CC=CC=C1)=O - 481 methyl ethyl ketone (MEK) 2-butanone 15.88 8.24 4.97 7.89 6.18 0 - 89.5 78-93-3 CC(CC)=O - 385 ethylenediamine 17.19 8.5 14.17 16.69 8.49 0 - 68.1 107-15-3 NCCN - 7 acetone 16.05 9.64 5.68 7.24 6.67 0 - 72.2 67-64-1 CC(C)=O - 285 N,N'-dimethylacetamide DMAc 17.32 13.11 10.21 13.38 7.63 0 - 94.1 127-19-5 CC(N(C)C)=O - 6 acetic anhydride 16.05 11.7 9.83 8.22 8.01 0 - 95.4 108-24-7 CC(OC(C)=O)=O - 325 ethyl alcohol Ethanol 15.78 9.3 17.54 8.09 13.12 0 - 58 64-17-5 CCO - 297 N,N-dimethylformamide DMF 17.23 13.86 11.95 11.92 8.85 0 - 76.9 _68-12-2 [H]C(N(C)C)=O - 263 diethylene glycol 17.26 10.62 20.98 14.82 11.97 0 - 95 111-46-6 OCCOCCO - 303 dimethyl sulfoxide DMSO 18.3 16.54 7.77 12.91 8.38 0 - 81.4 67-68-5 O=S(C)C - 456 methyl alcohol Methanol 16.04 11.02 19.55 6.67 14.8 0 - 40.7 67-56-1 OC([H])([H])[H] - 368 ethylene glycol 17.71 12.85 25.24 11.01 16.61 0 - 55.8 107-21-1 OCCO - 396 formaldehyde 12.82 13.71 15 6.36 9.08 0 - 36.9 50-00-0 O=C - 326 monoethanolamine 17.48 10.51 21.41 14.35 13.2 0 - 62 141-43-5 OCCN - 10 acetonitrile 15.68 17.42 7.35 7.62 8.72 0 - 53.4 _75-05-8 [H][C@@]([H])([H])C#N - 16.69 1.85 5.55 6.57 Sphere1