Abstract

Solvation descriptors for the 75 polychloronaphthalenes have been derived from literature data on various properties. These descriptors (S, the dipolarity/polarizability; B, the hydrogen bond basicity; L, the logarithm of the gas–hexadecane partition coefficient; E, the excess molar refraction; V, the McGowan volume) have been used to estimate properties that may be environmentally relevant. Thus, for all 75 polychloronaphthalenes, we estimate values for the water–octanol partition coefficient, as log P_OCT, the aqueous solubility, as log S, the gas–water partition coefficient, as log K^W, and the gas–dry octanol partition coefficient, as log K^OCT. We further show that it is trivial to estimate other properties for all 75 polychloronaphthalenes; these properties include a number of gas–solvent and water–solvent partitions, air–plant and water–plant partitions, and permeation of human skin from water.