Calculation of Aqueous Solubility of Organic Compounds

有机化合物水溶性的计算

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Abstract

The aqueous solubility of 14 organic solutes has been calculated from their octanol/water partition coefficient and from their solute activity coefficient in octanol at infinite dilution. The solute activity coefficients were calculated from the Flory-Huggins and Hildebrand-Scatchard (FH-HS) equations and were found to be in good agreement with the activity coefficients determined from GC specific retention volume measurements. The calculated solubilities were in good agreement with the experimental solubilities.

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