No. Solvent δD δP δH δHD δHA Score RED MVol CAS SMILES Remarks 195 trans-decahydronaphthalene 16.72 0.46 1.86 0.17 1.37 0 - 152.9 _493-02-7 [H][C@]12[C@@](CCCC2)([H])CCCC1 KagakuKougakuPolymer26 46 aniline 19.39 5.45 10.32 5.36 8.82 0 - 92.6 62-53-3 NC1=CC=CC=C1 - 122 carbon tetrachloride 17.78 2.83 1.73 0.1 1.81 0 - 93.3 56-23-5 ClC(Cl)(Cl)Cl - 181 cyclohexane 16.7 1.97 3.57 0.16 3.12 0 - 103 110-82-7 C1CCCCC1 - 366 1,2-dibromoethane 18.78 6.49 5.32 0.15 5.72 0 - 88.1 106-93-4 BrCCBr - 182 cyclohexanol 17.43 5.07 11.42 5.74 10.04 0 - 106.9 108-93-0 OC1CCCCC1 - 670 2,2,4-trimethylpentane iso-octane 14.4 0.1 0.1 0.1 0.1 0 - 165.1 540-84-1 CC(C)(C)CC(C)C - 396 formaldehyde 12.82 13.71 15 0.1 15 0 - 36.9 50-00-0 O=C - 398 formic acid 15.5 10.1 16.01 23.43 11.45 0 - 40.2 64-18-6 [H]C(O)=O - 456 methyl alcohol Methanol 16.04 11.02 19.55 12.92 22.74 0 - 40.7 67-56-1 OC([H])([H])[H] - 325 ethyl alcohol Ethanol 15.78 9.3 17.54 10.73 16.47 0 - 58 64-17-5 CCO - 52 benzene 18.47 3.71 4.8 0.1 5.16 0 - 85.2 71-43-2 C1=CC=CC=C1 - 333 ethylbenzene 17.56 2.37 3.15 0.1 3.06 0 - 122.1 100-41-4 CCC1=CC=CC=C1 - 637 toluene 17.96 2.44 3.55 0.13 3.47 0 - 104.8 108-88-3 CC1=CC=CC=C1 - 698 o-xylene 17.84 2.47 2.88 0.1 3.03 0 - 121.1 95-47-6 CC1=C(C)C=CC=C1 - 417 hexane 15.09 0.1 0.1 0.1 0.1 0 - 127.4 110-54-3 CCCCCC - 531 nitrobenzene 19.18 7.87 4.82 0.12 4.62 0 - 105 98-95-3 O=[N+]([O-])C1=CC=CC=C1 - 649 trichloroethylene 17.79 5.86 2.16 0.1 2.12 0 - 90.1 _79-01-6 [H]/C(Cl)=C(Cl)Cl - 814 p-chlorotoluene 18.88 4.35 3.91 0.19 3.6 0 - 117 106-43-4 CC1=CC=C(Cl)C=C1 - 156 chloroform 17.65 4.47 5.26 5.56 1.71 0 - 76.3 67-66-3 ClC(Cl)(Cl)[H] - 270 2-(2-methoxyethoxy)ethanol 16.37 7.92 13.45 4.04 12.79 0 - 119 111-77-3 OCCOCCOC - 404 furfural 18.41 12.43 8.71 0.1 8.34 0 - 85.1 _98-01-1 [H]C(C1=CC=CO1)=O - 1145 dimethyl maleate 17.09 6.41 8.46 0.1 9.26 0 - 129.1 624-48-6 O=C(OC)/C=CC(OC)=O - 306 1,4-dioxane 17.4 7.96 8.39 0.1 8.46 0 - 85.1 123-91-1 C1COCCO1 - 598 pyridine 19.06 7.53 6.7 0.1 6.41 0 - 80 110-86-1 C1=CN=CC=C1 - 115 gamma-butyrolactone 17.63 15.59 7.4 0.1 7.38 0 - 77.5 96-48-0 O=C1CCCO1 - 11 acetophenone 18.8 7.04 4.26 0.1 4.34 0 - 117.5 98-86-2 CC(C1=CC=CC=C1)=O - 209 diacetone alcohol 16.64 8.07 10.28 2.61 9.35 0 - 119 123-42-2 CC(CC(C)(O)C)=O - 1016 ethylacetoacetate 16.62 8.08 7.16 0.1 7.22 0 - 127.2 141-97-9 CC(CC(OCC)=O)=O - 1037 methyl acetoacetate 16.83 8.94 8.01 0.1 8.18 0 - 109.9 105-45-3 CC(CC(OC)=O)=O - 6 acetic anhydride 16.05 11.7 9.83 0.11 10.06 0 - 95.4 108-24-7 CC(OC(C)=O)=O - 25 acrylonitrile 15.92 14.49 6.69 1.53 6.58 0 - 65.6 107-13-1 C=CC#N - 385 ethylenediamine 17.19 8.5 14.17 4.46 14.34 1 - 68.1 107-15-3 NCCN - 297 N,N-dimethylformamide DMF 17.23 13.86 11.95 0.67 8.31 1 - 76.9 _68-12-2 [H]C(N(C)C)=O - 429 isopentyl acetate 15.67 3.93 5.17 0.1 5.12 1 - 148.6 123-92-2 CC(OCCC(C)C)=O - 997 2-methyltetrahydrofuran 16.41 4.81 4.73 0.14 4.55 1 - 97.4 96-47-9 CC1CCCO1 - 617 tetrahydrofuran THF 16.47 4.07 5.23 0.2 5.22 1 - 76.8 109-99-9 C1CCOC1 - 328 ethyl acetate 15.75 5.8 7.26 0.1 7.25 1 - 97.3 141-78-6 CC(OCC)=O - 285 N,N'-dimethylacetamide DMAc 17.32 13.11 10.21 0.1 8.23 1 - 94.1 127-19-5 CC(N(C)C)=O - 467 methyl acrylate 16.02 5.82 7.15 0.1 7.11 1 - 92.2 96-33-3 O=C(OC)C=C - 1143 diethyl oxalate 16.32 6.43 8.27 0.1 8.34 1 - 136.3 95-92-1 CCOC(C(OCC)=O)=O - 659 triethyl phosphate 16.49 10.57 6.63 0.1 6.74 1 - 172.1 78-40-0 O=P(OCC)(OCC)OCC - 438 isophorone 17.24 5.74 3.64 0.1 4.19 1 - 149.9 78-59-1 CC(CC(C)=CC1=O)(C1)C - 491 4-methyl-2-pentanone MIBK 15.63 5.86 3.72 0.1 3.68 1 - 124.9 108-10-1 CC(CC(C)C)=O - 464 methyl acetate 15.88 6.5 8.42 0.1 8.62 1 - 80 79-20-9 CC(OC)=O - 254 diethyl carbonate 15.36 7.8 4.7 0.1 5.39 1 - 119.2 105-58-8 O=C(OCC)OCC - 481 methyl ethyl ketone (MEK) 2-butanone 15.88 8.24 4.97 0.1 4.9 1 - 89.5 78-93-3 CC(CC)=O - 17 acetylacetone 17.02 11.19 6.2 0.1 6.37 1 - 102.1 123-54-6 CC(CC(C)=O)=O - 7 acetone 16.05 9.64 5.68 0.1 5.81 1 - 72.2 67-64-1 CC(C)=O - 18.1 11.73 13.87 4.73 Sphere1 13.83 8.72 3.18 7.49 Sphere2