Qian Jing, Poole Colin F
Department of Chemistry, Wayne State University, Detroit, MI 48202, USA.
J Sep Sci. 2007 Sep;30(14):2326-31. doi: 10.1002/jssc.200700175.
Partition coefficients for 86 varied compounds were determined for the chloroform-methanol-water (8:4:3 v/v) biphasic partition system and used to derive a model for the distribution of neutral compounds between the water-rich and chloroform-rich layers. The partition coefficients, log K(p), were correlated through the solvation parameter model giving log K(p) = 1.336 - 0.014E + 0.413S + 1.583A + 1.344B - 1.378V with a multiple correlation coefficient of 0.973, standard error of the estimate 0.151, and Fischer statistic 286. In the model the solute descriptors are excess molar refraction, E, dipolarity/polarizability, S, overall hydrogen-bond acidity, A, overall hydrogen-bond basicity, B, and McGowan's characteristic volume, V. The model is expected to be able to estimate further values of the partition coefficient to about 0.13 log units. The chloroform-methanol-water partition system is shown to have different selectivities to 44 common water-organic solvent and totally organic biphasic partition systems.
测定了86种不同化合物在氯仿 - 甲醇 - 水（8:4:3 v/v）双相分配体系中的分配系数，并用于推导中性化合物在富水层和富氯仿层之间分布的模型。分配系数log K(p) 通过溶剂化参数模型进行关联，得到log K(p) = 1.336 - 0.014E + 0.413S + 1.583A + 1.344B - 1.378V，复相关系数为0.973，估计标准误差为0.151，费舍尔统计量为286。在该模型中，溶质描述符为过量摩尔折射度E、偶极矩/极化率S、总氢键酸度A、总氢键碱度B和麦高恩特征体积V。预计该模型能够将分配系数的进一步值估计到约0.13对数单位。结果表明，氯仿 - 甲醇 - 水分配体系对44种常见的水 - 有机溶剂和全有机双相分配体系具有不同的选择性。
