Solubility of phenanthrene in binary mixtures of C 1-C 4 alcohols + 2-propanol and ethanol + methanol at 298.2 K

Abstract

Experimental solubilities are reported for phenanthrene in binary solvent mixtures of ethanol + methanol, methanol + 2-propanol, ethanol + 2-propanol, 1-propanol + 2-propanol, and 1-butanol + 2-propanol at 298.2 K. Results of these measurements were used to evaluate the prediction capability of previously developed quantitative structure-property relationships employing the solubility data in monosolvents, and the mean deviations (MDs) of the models varied between (1.1 and 24,2) %. The overall MDs (OMDs) for these methods were 3.5 (± 3,1) % and 8.6 (± 9.4) %, respectively, for water-to-solvent and gas-to-solvent coefficients. Using ab initio prediction methods the MDs varied between (7.0 and 114.7) %, and the OMDs were 9.1 (± 1.9) % and 84.9 (± 22.9) %. © 2009 American Chemical Society.