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This page provides supplementary data and solvent coefficients for linear free-energy relationships.
Partition between water and organic solvents
The LFER used to obtain partition coefficients that uses the systems below takes the form log Ps = c + eE + sS + aA + bB + vV
Coefficients for partition between water and solvents | ||||||||
---|---|---|---|---|---|---|---|---|
wet/dry | solvent | c | e | s | a | b | v | source |
w | 1-butanol | 0.376 | 0.434 | -0.718 | -0.097 | -2.350 | 2.682 | [1] |
w | 1-pentanol | 0.185 | 0.367 | -0.732 | 0.105 | -3.100 | 3.395 | [1] |
w | 1-hexanol | -0.006 | 0.460 | -0.940 | 0.142 | -3.284 | 3.792 | [1] |
w | 1-heptanol | 0.041 | 0.497 | -0.976 | 0.030 | -3.438 | 3.859 | [1] |
w | 1-octanol | 0.088 | 0.562 | -1.054 | 0.034 | -3.460 | 3.814 | [1] |
w | 1-nonanol | -0.041 | 0.562 | -1.103 | 0.090 | -3.540 | 3.922 | [1] |
w | 1-decanol | -0.136 | 0.542 | -0.989 | 0.046 | -3.722 | 3.996 | [1] |
w | isobutanol | 0.249 | 0.480 | -0.639 | -0.050 | -2.284 | 2.758 | [1] |
w/d | olely alcohol | -0.096 | 0.148 | -0.841 | -0.438 | -4.040 | 4.125 | [1] |
w/d | dichloromethane | 0.319 | 0.102 | -0.187 | -3.058 | -4.090 | 4.324 | [1] |
w/d | trichloromethane | 0.191 | 0.105 | -0.403 | -3.112 | -3.514 | 4.395 | [1] |
w/d | tetrachloromethane | 0.199 | 0.523 | -1.159 | -3.560 | -4.594 | 4.618 | [1] |
w/d | 1,2-dichloroethane | 0.183 | 0.294 | -0.134 | -2.801 | -4.291 | 4.180 | [1] |
w/d | 1-chlorobutane | 0.222 | 0.273 | -0.569 | -2.918 | -4.883 | 4.456 | [1] |
w/d | butane | 0.297 | -0.005 | -1.584 | -3.188 | -4.567 | 4.562 | [1] |
w/d | pentane | 0.369 | 0.386 | -1.568 | -3.535 | -5.215 | 4.514 | [1] |
w/d | hexane | 0.333 | 0.56 | -1.71 | -3.578 | -4.939 | 4.463 | [2] |
w/d | heptane | 0.297 | 0.643 | -1.755 | -3.571 | -4.946 | 4.488 | [2] |
w/d | octane | 0.231 | 0.738 | -1.84 | -3.585 | -4.907 | 4.502 | [2] |
w/d | nonane | 0.240 | 0.619 | -1.713 | -3.532 | -4.921 | 4.482 | [1] |
w/d | decane | 0.186 | 0.722 | -1.741 | -3.449 | -4.97 | 4.476 | [2] |
w/d | undecane | 0.058 | 0.603 | -1.661 | -3.421 | -5.120 | 4.619 | [1] |
w/d | dodecane | 0.114 | 0.668 | -1.644 | -3.545 | -5.006 | 4.459 | [1] |
w/d | hexadecane | 0.087 | 0.667 | -1.617 | -3.587 | -4.869 | 4.433 | [1] |
w/d | cyclohexane | 0.159 | 0.784 | -1.678 | -3.740 | -4.929 | 4.577 | [1] |
w/d | methylcyclohexane | 0.246 | 0.782 | -1.982 | -3.517 | -4.293 | 4.528 | [1] |
w/d | isooctane | 0.32 | 0.511 | -1.685 | -3.687 | -4.811 | 4.399 | [3] |
d | 1-hexadecene | 0.116 | 0.706 | -1.616 | -3.181 | -4.796 | 4.322 | [4] |
d | 1,9-decadiene | 0.104 | 0.615 | -1.796 | -3.07 | -4.291 | 4.518 | [4] |
w/d | benzene | 0.142 | 0.464 | -0.588 | -3.099 | -4.625 | 4.491 | [1] |
w/d | toluene | 0.125 | 0.431 | -0.644 | -3.002 | -4.748 | 4.524 | [5] |
w/d | ethylbenzene | 0.093 | 0.467 | -0.723 | -3.001 | -4.844 | 4.514 | [5] |
w/d | fluorobenzene | 0.139 | 0.152 | -0.374 | -3.030 | -4.601 | 4.540 | [1] |
w/d | chlorobenzene | 0.065 | 0.381 | -0.521 | -3.183 | -4.700 | 4.614 | [1] |
w/d | bromobenzene | -0.017 | 0.436 | -0.424 | -3.174 | -4.558 | 4.445 | [1] |
w/d | iodobenzene | -0.192 | 0.298 | -0.308 | -3.213 | -4.653 | 4.588 | [1] |
w/d | nitrobenzene | -0.196 | 0.537 | 0.042 | -2.328 | -4.608 | 4.314 | [1] |
w | diethyl ether | 0.248 | 0.561 | -1.016 | -0.226 | -4.553 | 4.075 | [1] |
w | diisopropyl ether | 0.472 | 0.413 | -0.745 | -0.632 | -5.251 | 4.059 | [1] |
w | dibutyl ether | 0.252 | 0.677 | -1.506 | -0.807 | -5.249 | 4.815 | [1] |
w | o-nitrophenyloctyl ether | 0.121 | 0.600 | -0.459 | -2.246 | -3.879 | 3.574 | [1] |
w | ethyl acetate | 0.441 | 0.591 | -0.699 | -0.325 | -4.261 | 3.666 | [1] |
w | n-butyl acetate | -0.475 | 0.428 | -0.094 | -0.241 | Zdroj:https://en.wikipedia.org?pojem=LFER_solvent_coefficients_(data_page)