Computation methodology for determining Abraham solute descriptors from limited experimental data by combining Abraham model and Goss-modified Abraham model correlations.

A new computation methodology is proposed for calculating the Abraham solute descriptors. The proposed method combines correlations based on both the Abraham model and the Goss-modified version of the Abraham model. The computation methodology is illustrated using published solubility and partition data for benzil in a wide range of organic solvent systems. Calculated solute descriptors back-calculate the observed experimental values to 0.119 log units. The proposed method of using both the Abraham model and the Goss-modified Abraham model correlations significantly increases the number of available equations that can be used in the solute descriptor determination. [ABSTRACT FROM AUTHOR]