dD,Ac,Bs dD,dP,Ac*Bs sq(dD^2+dP^2),Ac,Bs

No. Solvent δD δP δH yED26 yEA26 Score RED MVol CAS SMILES Remarks δH yHAcid26 yHBase26 yHAcidL yHBaseL yED26 yEA26 yEDL26 yEAL26 dHAcidOld dHBaseOld dHAcidLOld dHBaseLOld Abraham yAcid26 Abraham yBase26 yHAcidB yHBaseB MaxPCharge MinMCharge 52 benzene 18.47 3.71 4.8 0.64 4.41 1 - 85.2 71-43-2 C1=CC=CC=C1 - 4.8 4.19 0.61 2.01 2.79 0.64 4.41 3 2.16 0.1 5.16 0.1 4.6 2.6667 6.0347 2.16 4.35 0 0 697 p-xylene 18.16 3.25 3.63 4.52 4.54 1 - 120.3 106-42-3 CC1=CC=C(C)C=C1 - 3.63 1.82 1.81 1.64 1.76 4.52 4.54 4.21 3.94 0.1 3.54 0.7 2.8 2.6667 4.4377 2.22 3.2 0.215 -0.121 122 carbon tetrachloride 17.78 2.83 1.73 0.64 3.96 1 - 93.3 56-23-5 ClC(Cl)(Cl)Cl - 1.73 1.49 0.24 0.1 0 0.64 3.96 2.42 3.34 0.1 1.81 0.3 2.4 2.6667 2 1.94 1.75 0.216 -0.054 637 toluene 17.96 2.44 3.55 4.59 4.22 1 - 104.8 108-88-3 CC1=CC=CC=C1 - 3.55 1.7 1.85 1.07 1.93 4.59 4.22 5.65 3.16 0.13 3.47 0.1 3.1 2.6667 4.5877 2.07 3.37 0.246 -0.125 156 chloroform 17.65 4.47 5.26 0.64 8.87 1 - 76.3 67-66-3 ClC(Cl)(Cl)[H] - 5.26 4.9 0.35 15.93 3.87 0.64 8.87 2.26 9.29 5.56 1.71 18.9 16.5 2.6667 2 4.35 2.37 0.256 -0.085 451 mesitylene 17.93 2.63 3.1 5.34 3.61 1 - 136.7 108-67-8 CC1=CC(C)=CC(C)=C1 - 3.1 1.25 1.85 0.17 0.43 5.34 3.61 3.76 1.51 0.13 3.34 0.1 2.1 2.6667 5.2078 1.77 3.43 0.301 -0.278 181 cyclohexane 16.7 1.97 3.57 3.72 3.11 1 - 103 110-82-7 C1CCCCC1 - 3.57 1.63 1.95 0.74 1.36 3.72 3.11 4.52 2.45 0.16 3.12 0.1 1.8 2.6667 4.3807 1.52 4.6 0 0 545 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] - 5.7 3.2 2.5 14.65 7.45 7.12 9.13 9.83 19.34 4.25 3.42 18.1 12.3 8.3583 5.7581 4.47 2.5 0.454 -0.295 46 aniline 19.39 5.45 10.32 11.59 7.5 0 - 92.6 62-53-3 NC1=CC=CC=C1 - 10.32 4.05 6.27 10.5 13.7 11.59 7.5 14.13 10.83 5.36 8.82 13.4 20.2 8.1743 9.8132 3.67 5.51 0.305 -0.121 196 decane 15.58 0.1 0.1 0.64 0.64 1 - 194.7 124-18-5 CCCCCCCCCC - 0.1 0.05 0.05 0.05 0.05 0.64 0.64 0.9 0.9 0.1 0.1 0.1 0.1 2.6667 4.5153 0.31 0.63 0.159 -0.084 105 butylamine 15.91 4.42 7.41 13.1 5.9 1 - 98.8 109-73-9 CCCCN - 7.41 2.3 5.11 5.4 11.7 13.1 5.9 16.05 7.41 2.38 7.25 5.7 15.9 4.946 9.7848 2.89 5.03 0.153 -0.089 409 heptane 15.25 0.1 0.1 0.64 0.64 1 - 145 142-82-5 CCCCCCC - 0.1 0.05 0.05 0.05 0.05 0.64 0.64 0.9 0.9 0.1 0.1 0.1 0.1 2.6667 3.3102 0.31 0.63 0.143 -0.095 148 chlorobenzene 18.79 3.72 3.84 3.01 4.72 1 - 101.5 108-90-7 ClC1=CC=CC=C1 - 3.84 2.34 1.49 1.59 2.21 3.01 4.72 5.61 4.03 0.1 3.58 1.2 3.1 2.6667 2.2989 2.31 3.25 0.298 -0.114 417 hexane 15.09 0.1 0.1 0.64 0.64 1 - 127.4 110-54-3 CCCCCC - 0.1 0.05 0.05 0.05 0.05 0.64 0.64 0.9 0.9 0.1 0.1 0.1 0.1 2.6667 2.6465 0.31 0.63 0.134 -0.098 617 tetrahydrofuran THF 16.47 4.07 5.23 7.55 5 1 - 76.8 109-99-9 C1CCOC1 - 5.23 2.08 3.15 5.18 7.22 7.55 5 8.98 6.45 0.2 5.22 2.9 12.3 2.6667 9.8569 2.45 4.18 0.018 -0.04 255 diethyl ether 14.81 5.12 4.3 6.56 5.15 1 - 100.4 60-29-7 CCOCC - 4.3 1.89 2.41 4.44 6.46 6.56 5.15 7.17 4.93 0.1 4.03 1.8 10.3 2.6667 6.3762 2.52 3.34 0.126 -0.094 542 1-octanol 16.05 4.62 11.1 9.72 9.97 1 - 158.6 111-87-5 CCCCCCCCO - 11.1 5.62 5.48 20.96 15.64 9.72 9.97 10.26 13.75 6.46 8.52 19.3 29.2 11.7076 5.7781 4.89 4.45 0.202 -0.21 550 pentane 15.07 0.1 0.1 0.64 0.64 1 - 110.1 109-66-0 CCCCC - 0.1 0.05 0.05 0.05 0.05 0.64 0.64 0.9 0.9 0.1 0.1 0.1 0.1 2.6667 2 0.31 0.63 0.123 -0.111 524 dichloromethane methylene chloride 17.23 7.96 7.68 2.06 9.53 1 - 61.9 _75-09-2 [H]C(Cl)(Cl)[H] - 7.68 6.32 1.36 14.8 5 2.06 9.53 3.2 9.47 7.79 1.73 18.9 16.5 4.8902 2.1141 4.67 3.22 0.015 -0.007 160 o-chlorophenol 19.38 6.2 10.36 5.18 13.08 1 - 104.2 95-57-8 OC1=CC=CC=C1Cl - 10.36 7.42 2.94 20.66 8.14 5.18 13.08 7.05 17.9 8.86 7 23.1 17.4 9.7447 3.9225 6.41 3.17 0.21 -0.235 328 ethyl acetate 15.75 5.8 7.26 7.29 5.98 0 - 97.3 141-78-6 CC(OCC)=O - 7.26 3.27 3.99 4.3 6.5 7.29 5.98 9.26 6.12 0.1 7.25 1.1 10.7 2.6667 10.8828 2.93 4.86 0.328 -0.304 58 benzyl alcohol 18.74 5.78 12.28 8.67 11.51 0 - 103.2 100-51-6 OCC1=CC=CC=C1 - 12.28 7 5.28 20.79 15.81 8.67 11.51 10.49 13.8 6.4 10.58 19.3 29.2 8.7205 10.7836 5.64 4.27 0.31 -0.184 92 butanol 1-Butanol, Butyl Alcohol 16.03 6.45 18.34 14.12 13.11 0 - 92.6 71-36-3 CCCCO - 18.34 8.83 9.51 20.98 15.62 14.12 13.11 10.23 13.74 11.18 15.21 19.3 29.2 9.764 7.9404 6.42 5.6 0.201 -0.208 856 Triethylene Glycol Monomethyl Ether 16.37 7.4 11.86 16.1 6.06 0 - 158.2 112-35-6 OCCOCCOCCOC - 11.86 3.25 8.62 16.7 19.9 16.1 6.06 16.57 13.9 2.67 11.43 19.3 29.2 4.7301 20 2.97 7.82 0.226 -0.203 531 nitrobenzene 19.18 7.87 4.82 5.85 6.53 0 - 105 98-95-3 O=[N+]([O-])C1=CC=CC=C1 - 4.82 2.54 2.28 4.2 3.4 5.85 6.53 5.99 7.41 0.12 4.62 2.1 7.1 2.6667 5.7129 3.2 2.95 1.053 -0.544 11 acetophenone 18.8 7.04 4.26 6.94 5.88 0 - 117.5 98-86-2 CC(C1=CC=CC=C1)=O - 4.26 1.95 2.31 3.39 4.31 6.94 5.88 7.33 5.77 0.1 4.34 0.1 8.5 2.6667 8.7966 2.88 2.9 0.143 -0.246 481 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 - 4.97 2.18 2.79 3.77 5.83 7.89 6.18 10.03 6.48 0.1 4.9 0.3 9.5 2.6667 10.9564 3.03 3.22 0.327 -0.317 385 ethylenediamine 17.19 8.5 14.17 16.69 8.49 0 - 68.1 107-15-3 NCCN - 14.17 4.78 9.39 5.4 11.7 16.69 8.49 17.56 8.1 4.46 14.34 5.7 15.9 2.6667 20 4.16 6.67 0.021 -0.021 7 acetone 16.05 9.64 5.68 7.24 6.67 0 - 72.2 67-64-1 CC(C)=O - 5.68 2.72 2.96 3.76 5.84 7.24 6.67 9.95 6.41 0.1 5.81 0.3 9.5 2.6667 11.4437 3.27 3.41 0.25 -0.307 285 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 - 10.21 3.71 6.5 5.01 8.59 13.38 7.63 15.51 9.04 0.1 8.23 3.7 13.5 2.6667 17.9623 3.74 5.35 0.256 -0.336 6 acetic anhydride 16.05 11.7 9.83 8.22 8.01 0 - 95.4 108-24-7 CC(OC(C)=O)=O - 9.83 4.85 4.98 5.95 6.35 8.22 8.01 9.86 9.23 0.11 10.06 2.8 12.2 2.6667 10 3.93 4.91 0.377 -0.295 325 ethyl alcohol Ethanol 15.78 9.3 17.54 8.09 13.12 0 - 58 64-17-5 CCO - 17.54 10.85 6.69 20.96 15.64 8.09 13.12 10.27 13.76 10.73 16.47 19.3 29.2 11.8248 10.6128 6.43 5.35 0.186 -0.196 297 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 - 11.95 5.09 6.86 5.05 8.55 11.92 8.85 15.51 9.17 0.67 8.31 3.7 13.5 2.6667 17.2515 4.34 5.4 0.114 -0.245 263 diethylene glycol 17.26 10.62 20.98 14.82 11.97 0 - 95 111-46-6 OCCOCCO - 20.98 9.38 11.61 18.02 18.58 14.82 11.97 15.56 15.09 10.23 19.19 19.3 29.2 14.1502 20 5.86 7.01 0.112 -0.163 303 dimethyl sulfoxide DMSO 18.3 16.54 7.77 12.91 8.38 0 - 81.4 67-68-5 O=S(C)C - 7.77 3.06 4.71 3.28 6.12 12.91 8.38 17.15 9.17 0.1 7.69 2.8 9.2 2.6667 20 4.11 3.71 0.062 -0.094 456 methyl alcohol Methanol 16.04 11.02 19.55 6.67 14.8 0 - 40.7 67-56-1 OC([H])([H])[H] - 19.55 13.48 6.08 21 15.6 6.67 14.8 10.2 13.74 12.92 22.74 19.3 29.2 10.7159 11.3265 7.25 5.28 0.254 -0.254 368 ethylene glycol 17.71 12.85 25.24 11.01 16.61 0 - 55.8 107-21-1 OCCO - 25.24 15.18 10.06 20.99 15.61 11.01 16.61 11.18 15.04 17.48 25 19.3 29.2 15.618 20 8.14 6.08 0.13 -0.13 396 formaldehyde 12.82 13.71 15 6.36 9.08 0 - 36.9 50-00-0 O=C - 15 8.82 6.18 14.09 12.51 6.36 9.08 9.71 10.94 0.1 15 1.5 27.2 2.6667 6.6 4.45 6.61 0.264 -0.264 326 monoethanolamine 17.48 10.51 21.41 14.35 13.2 0 - 62 141-43-5 OCCN - 21.41 10.26 11.15 16.78 19.82 14.35 13.2 16.67 14.12 9.9 20.41 19.3 29.2 20.2396 20 6.47 6.49 0.099 -0.183 10 acetonitrile 15.68 17.42 7.35 7.62 8.72 0 - 53.4 _75-05-8 [H][C@@]([H])([H])C#N - 7.35 3.92 3.43 4.93 4.67 7.62 8.72 8.6 9.07 1.75 7.52 2.5 9.3 2.6667 6.5347 4.27 3.37 0.125 -0.114 17.2 3.02 1.52 5.05 6.92 Sphere1 14.55 1.64 10.03 8.03 5.71 Sphere2