Calculation of Gibbs Energy of Interaction (ΔG0int) of Neutral Benzoic Acids and their Anions

Abstract

AbstractQuantitative correlation of the solubility phenomena and understanding of the dissolution mechanism are complex due to interplay of different types of intermolecular forces in the solubilization processes.Attempts have been made to understand the solubilization process by determining the ΔG0intterms for neutral benzoic acid and substituted benzoic acids using the solubility values of neutral acids reported from our laboratory and the scaled particle theory. Similarly, ΔG0intterms for the anions are also calculated. ΔG0intvalues for neutral (HA) and charged ions (A−) are opposite. Different aspects of solubility and dissociation processes for the substituted acids and the effects of substitution have been explained with success.The limitations of the method have also been emphasized.