A Simple Method of Calculating Dissociation Constants of Carboxylic Acids and Phenols in Various Solvents

Abstract

The Hammett equation correlating the dissociation constants (K for the substituted acid and K₀ for the unsubstituted acid) of members of a closely related series of acids is given by log(K/K₀) = pσ. Previously, it has been shown that the p values in other solvents can be calculated from the p value in water. In this work it is shown that the pK₀ values in other solvents can also be calculated from the pK₀ value in water. Therefore, we can now calculate the pK values in various solvents.