Solubility predictions for crystalline nonelectrolyte solutes dissolved in organic solvents based upon the Abraham general solvation model

The Abraham general solvation model is used to predict the saturation solubility of crystalline nonelectrolyte solutes in organic solvents. The derived equations take the form of log (C-S/C-W) = c + rR(2) + s pi (H)(2) + a Sigma alpha (H)(2) + b Sigma beta (H)(2) + vV(x) and log (C-S/C-G) = c + rR(2) + s pi (H)(2) + a Sigma alpha (H)(2) + b Sigma beta (H)(2) + l log L-(16) where C-S and C-W refer to the solute solubility in the organic solvent and water, respectively, C-G is a gas-phase concentration, R-2 is the solute's excess molar refraction, V-x is McGowan volume of the solute, Sigma alpha (H)(2) and Sigma beta (H)(2) are measures of the solute's hydrogen-bond acidity and hydrogen-bond basicity, pi (H)(2) denotes the solute's dipolarity and (or) polarizability descriptor, and log L-(16) is the solute's gas-phase dimensionless Ostwald partition coefficient into hexadecane at 298 K. The remaining symbols in the above expressions are known equation coefficients, which have been determined previously for a large number of gas-solvent and water-solvent systems. Computations show that the Abraham general solvation model predicts the observed solubility behavior of anthracene, phenanthrene, and hexachlorobenzene to within an average absolute deviation of about +/-35%.