Abstract
We present the basis for building a universal organic solvation model to calculate solubility in any organic solvent and in water, as well as the organic solvent–water partition coefficient ( P). Log P values are of the same order of magnitude as reference calculations but for a few cases which are discussed. Normalized log P contributions are sensitive to the rest of the atoms. When comparing porphin with phthalocyanine, the latter results in an amphipathic molecule. For C 70, the contribution of a–e carbons to log P correlates with the distances from the nearest pentagon. The method has been also applied to benzobisthiazole oligomers and phenyl alcohols.
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