Universal model for the calculation of all organic solvent-water partitioncoefficients

We present the basis for building a universal organic solvation model to ca lculate solubility in any organic solvent and in water, as well as the orga nic solvent-water partition coefficient (P). Log P values are of the same o rder of magnitude as reference calculations but for a few cases which are d iscussed. Normalized log P contributions are sensitive to the rest of the a toms. When comparing porphin with phthalocyanine, the latter results in an amphipathic molecule. For C-70, the contribution of a-e carbons to log P co rrelates with the distances from the nearest pentagon. The method has been also applied to benzobisthiazole oligomers and phenyl alcohols. (C) 1998 El sevier Science B.V. All rights reserved.