Mathematical correlation of 1,2,4,5-tetramethylbenzene solubilities in organic solvents with the Abraham solvation parameter model.

The Abraham solvation parameter model is used to predict the experimental solubilities of 1,2,4,5-tetramethylbenzene in organic solvents, from the correlation equations, below, and already determined descriptors for 1,2,4,5-tetramethylbenzene. The mathematical correlations take the form of 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 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 a large number of gas/solvent and water/solvent systems. The Abraham solvation parameter model was found to predict the experimental solubility data of 1,2,4,5-tetramethylbenzene to within an overall standard deviation of 0.15 log units. [ABSTRACT FROM AUTHOR]