Abraham model solute descriptors: effect of structural features on the calculated numerical descriptor values for vanillin and select derivatives.

Abraham model solute descriptors are determined for vanillin and five select derivatives (o-vanillin, isovanillin, vanillic acid, vanillyl alcohol and ethylvanillin) based on experimental solubility and partition coefficient data that we were able to find in the published literature. The solute descriptor values reported in the current communication back-calculate the observed experimental data to within standard errors of 0.12 log units (or less). The calculated solute descriptors can be used to predict the solubility of the vanillin and the five select derivatives in additional organic mono-solvents and binary aqueous-ethanol solvent mixtures using published Abraham model correlations. [ABSTRACT FROM AUTHOR]