Mathematical correlation of salicylamide solubilities in organic solvents with the Abraham solvation parameter model

摘要

The Abraham solvation parameter model is used to calculate the numerical values of the solute descriptors for salicylamide from experimental solubilities in organic solvents. The mathematical correlations take the form of log (CW)/(CS) = c + e . E + s . S + a . A + b . B + v . V log(CG)/(CS) = c + e . E + s . S + a . A + b . B + l . L 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, E is the solute excess molar refraction, V is McGowan volume of the solute, A and B are measures of the solute hydrogen-bond acidity and hydrogen-bond basicity, S denotes the solute dipolarity/polarizability descriptor, and L is the logarithm of the solute gas phase dimensionless Ostwald partition coefficient into hexadecane at 298 K. The remaining symbols in the above expressions are known solvent coefficients, which have been determined Previously for H large number of gas-solvent and water-solvent systems. The Abraham solvation Parameter model was found to describe the available experimental solubility, partition coefficient, chromatographic retention and toxicity data of salicylamide within an overall SD of 0.091 log units.