Comparison of methods for calculation of the partition coefficients of selected aliphatic compounds
Anna Niestrój · Journal of Planar Chromatography – Modern TLC · 2010
New methods are proposed for calculation of the partition coefficients of aliphatic compounds from experimental RF values and the numerical values of selected topological indexes ( 1χ , 2χν , 0B , and 1B ). The experimental partition coefficient (log Pexp ) of cetyl alcohol was determined for the n -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).