No. Solvent δD δDvdw δDfg δP δH δHAcid25 δHBase25 YED25sq YEA25sq yED3mLa25sq yEA3mLa25sq dHAcidLa25 dHBaseLa25 AbraYam Acid40 AbraYam Base30 MVol Score 67-64-1 acetone 16.05 10.65 11.54 9.64 5.68 0.1 5.81 2.54 2.33 2.92 1.88 0.3 9.5 0.1 17.1656 72.231 3 78-93-3 methyl ethyl ketone (MEK) 2-butanone 15.88 10.28 11.89 8.24 4.97 0.1 4.9 2.76 2.16 2.96 1.91 0.3 9.5 0.1 16.4346 89.491 3 123-54-6 acetylacetone 17.02 10.37 13.38 11.19 6.2 0.1 6.37 3.74 2.6 3.29 2.12 0.3 9.5 0.8889 26.2558 102.147 3 78-40-0 triethyl phosphate 16.49 10.2 12.46 10.57 6.63 0.1 6.74 5.67 2.73 3.17 2.83 3.4 14.4 0.1 30 172.062 3 105-58-8 diethyl carbonate 15.36 10.42 11.33 7.8 4.7 0.1 5.39 2.83 2.11 3.13 2.16 3.4 9.1 0.1 16.0207 119.242 3 79-20-9 methyl acetate 15.88 10.91 11.45 6.5 8.42 0.1 8.62 2.35 2.24 2.69 1.78 1.1 10.7 0.1 16.9437 80.009 3 96-33-3 methyl acrylate 16.02 10.66 11.89 5.82 7.15 0.1 7.11 2.42 2.21 2.71 1.85 1.1 10.7 0.1 16.1334 92.198 3 108-10-1 4-methyl-2-pentanone MIBK 15.63 9.73 12.22 5.86 3.72 0.1 3.68 2.8 1.83 2.96 1.89 0.3 9.5 0.219 13.675 124.934 3 95-92-1 diethyl oxalate 16.32 10.43 12.5 6.43 8.27 0.1 8.34 3.46 2.3 3.05 2.01 1.1 10.7 0.1 23.2012 136.34 3 78-59-1 isophorone 17.24 9.71 14.18 5.74 3.64 0.1 4.19 2.71 1.96 3.16 2 2.2 8.3 0.6481 12.7538 149.894 3 141-78-6 ethyl acetate 15.75 10.52 11.66 5.8 7.26 0.1 7.25 2.55 2.09 2.73 1.8 1.1 10.7 0.1 16.3242 97.269 3 109-99-9 tetrahydrofuran THF 16.47 10.72 12.49 4.07 5.23 0.2 5.22 2.64 1.75 2.83 2.03 2.9 12.3 0.3817 14.7854 76.827 3 96-47-9 2-methyltetrahydrofuran 16.41 10.24 12.78 4.81 4.73 0.14 4.55 3 1.81 2.65 1.94 2.9 12.3 0.1179 14.5755 97.394 3 127-19-5 N,N'-dimethylacetamide DMAc 17.32 10.27 13.95 13.11 10.21 0.1 8.23 4.68 2.67 4.55 2.65 3.7 13.5 0.1 26.9435 94.142 3 123-92-2 isopentyl acetate 15.67 9.73 12.23 3.93 5.17 0.1 5.12 2.68 1.79 2.74 1.79 1.1 10.7 0.3503 13.9118 148.596 3 _68-12-2 N,N-dimethylformamide DMF 17.23 10.56 13.58 13.86 11.95 0.67 8.31 4.17 3.1 4.55 2.71 3.7 13.5 1.3105 25.8773 76.877 3 108-24-7 acetic anhydride 16.05 10.88 11.73 11.7 9.83 0.11 10.06 2.88 2.8 2.9 2.71 2.8 12.2 0.1 15 95.442 2 107-13-1 acrylonitrile 15.92 10.61 11.89 14.49 6.69 1.53 6.58 2.36 2.82 2.54 2.71 2.5 9.3 2.2768 10.1173 65.594 2 105-45-3 methyl acetoacetate 16.83 10.53 13.03 8.94 8.01 0.1 8.18 3.68 2.53 3.23 2.1 1.1 10.7 0.571 25.391 109.925 2 141-97-9 ethylacetoacetate 16.62 10.28 13.03 8.08 7.16 0.1 7.22 3.65 2.39 3.25 2.11 1.1 10.7 0.3967 23.8602 127.186 2 98-86-2 acetophenone 18.8 10.27 15.63 7.04 4.26 0.1 4.34 2.43 2.06 2.2 1.71 0.1 8.5 0.0505 13.1949 117.49 2 110-86-1 pyridine 19.06 10.73 15.69 7.53 6.7 0.1 6.41 4.07 2.21 4.04 1.78 2.7 12 0.2038 14.3466 80.046 2 96-48-0 gamma-butyrolactone 17.63 11.05 13.78 15.59 7.4 0.1 7.38 3.15 2.98 3.58 3.23 5.5 11.5 0.1 11.6651 77.451 2 123-91-1 1,4-dioxane 17.4 10.81 13.68 7.96 8.39 0.1 8.46 4.39 2.24 3 2.12 2.9 12.3 0.1 30 85.071 2 123-42-2 diacetone alcohol 16.64 9.94 13.3 8.07 10.28 2.61 9.35 4.31 3.49 3.82 3.77 9 23.3 12.2742 26.9763 118.995 2 624-48-6 dimethyl maleate 17.09 10.55 13.34 6.41 8.46 0.1 9.26 3.49 2.4 3.03 2.01 1.1 10.7 0.5249 22.2345 129.104 1 _98-01-1 furfural 18.41 11.06 14.55 12.43 8.71 0.1 8.34 2.64 2.99 2.42 2.47 4.1 12.5 0.1 12.6743 85.059 1 67-66-3 chloroform 17.65 12.59 12.74 4.47 5.26 5.56 1.71 0.22 3.11 0.71 2.92 18.9 16.5 2.7013 1.7104 76.34 1 106-43-4 p-chlorotoluene 18.88 10.59 15.63 4.35 3.91 0.19 3.6 1.11 1.75 1.23 1.29 1.2 2.9 0.6859 3.7104 116.999 1 _79-01-6 trichloroethylene 17.79 12.2 12.81 5.86 2.16 0.1 2.12 0.41 1.8 0.41 1.33 2.4 3 2.5645 1.2605 90.078 1 98-95-3 nitrobenzene 19.18 10.94 15.65 7.87 4.82 0.12 4.62 2.05 2.29 1.95 2.34 2.1 7.1 0.7551 8.5694 105.033 1 110-54-3 hexane 15.06 9.35 11.74 0.1 0.1 0.1 0.1 0.22 0.22 0.32 0.32 0.1 0.1 0.1 0.1 127.384 1 108-88-3 toluene 17.96 10.15 14.66 2.44 3.55 0.13 3.47 1.61 1.48 1.78 1 0.1 3.1 0.1 6.8815 104.836 1 95-47-6 o-xylene 17.84 9.95 14.8 2.47 2.88 0.1 3.03 1.63 1.28 1.32 0.83 0.1 2.1 0.1 5.6433 121.067 1 100-41-4 ethylbenzene 17.56 9.93 14.38 2.37 3.15 0.1 3.06 1.68 1.46 1.84 1.05 0.1 3.1 0.1 7.8235 122.097 1 71-43-2 benzene 18.47 10.48 15.38 3.71 4.8 0.1 5.16 0.22 1.54 0.92 0.66 0.1 4.6 0.0595 9.0521 85.155 1 111-77-3 2-(2-methoxyethoxy)ethanol 16.37 10.25 12.55 7.92 13.45 4.04 12.79 5.41 2.51 4.95 4.09 19.3 29.2 9.7594 30 119.013 1 64-17-5 ethyl alcohol Ethanol 15.78 10.89 11.19 9.3 17.54 10.73 16.47 2.83 4.59 3.23 4.31 19.3 29.2 17.7372 15.9192 57.953 1 67-56-1 methyl alcohol Methanol 16.04 11.63 10.64 11.02 19.55 12.92 22.74 2.34 5.18 3.2 4.3 19.3 29.2 16.0738 16.9897 40.692 1 50-00-0 formaldehyde 12.82 11.97 4.52 13.71 15 0.1 15 2.23 3.18 3.04 3.5 1.5 27.2 0.1 9.9 36.857 0 540-84-1 2,2,4-trimethylpentane iso-octane 14.38 9.1 11.14 0.1 0.1 0.1 0.1 0.22 0.22 0.32 0.32 0.1 0.1 0.1 0.1 165.087 0 106-93-4 1,2-dibromoethane 18.78 14.12 12.06 6.49 5.32 0.15 5.72 1.44 2.07 1.15 1.8 1.5 6.2 1.9156 4.9523 88.07 0 110-82-7 cyclohexane 16.7 9.89 13.49 1.97 3.57 0.16 3.12 1.3 1.09 1.45 0.77 0.1 1.8 0.1 6.571 103.042 0 56-23-5 carbon tetrachloride 17.78 12.73 12.34 2.83 1.73 0.1 1.81 0.22 1.38 0.76 1.09 0.3 2.4 1.5974 1.4166 93.334 0 _493-02-7 trans-decahydronaphthalene 16.72 9.59 13.69 0.46 1.86 0.17 1.37 0.8 0.82 1.01 0.82 1.5 1.8 0.8662 7.0538 152.867 0 108-93-0 cyclohexanol 17.43 10.09 14.15 5.07 11.42 5.74 10.04 4.22 3.56 3.17 3.78 14.5 28.5 13.4856 14.5258 106.886 0 62-53-3 aniline 19.39 10.46 16.11 5.45 10.32 5.36 8.82 4.06 2.62 4.46 3.4 13.4 20.2 12.2614 14.7198 92.578 0 64-18-6 formic acid 15.5 12.36 10 10.1 16.01 23.43 11.45 2.2 8.06 3.04 6.07 18.1 12.3 28.6744 6.6438 40.22 0 Calc Sphere 15.62430241 10.04162766 11.33113057 8.448466897 6.500448105 0.139882684 6.417883079 3.203233533 1.575474452 3.257885005 1.321625274 1.763917427 11.73541157 0.376931229 19.47807595 400 999
軸の3つ
0:dD, dP, dH
1:dD, A, B
2:dP, A, B
3:dD, dP, A*B
4:dDfg, dP, dH
5:dDfg, A, B
6:dDfg, dP, A*B
Donor/Acceptor
0:dH
1:dHac, dHbs
2:dHacLa, dHbsLa
3:yED, yEA
4:yEDLa, yEALa
5:AbrahamAc, AbrahamBs