New methods are proposed for calculation of the partition coefficients of aliphatic compounds from experimental
values and the numerical values of selected topological indexes (
). The experimental partition coefficient (log
) of cetyl alcohol was determined for the
-octanol-water system. Numerical values obtained in this work were compared with theoretical values from a database (AlogPs, AC_logP, AB/LogP, ALOGP, milogP, and XLOGP2).
A. Niestroj, A. Pyka, J. Śliwiok
, J. Planar Chromatogr.