Distribution model for Folch partition.
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.
Department of Chemistry, Wayne State University, Detroit, MI 48202, USA.
Jing
J
Qian
Colin F
CF
Poole