Application of Hammett Equation to Dissociation Equilibriums of 1,3-Cyclohexadiene-1-Carboxylic Acids (Dihydro Benzoic Acid-The Benzane System)

The DFT computed pK_as of dissociation equilibriums of 1,3-cyclohexadiene-1-carboxylic acids (dihydro benzoic acid) were successfully found to obey Hammett equation. This is a new observation in Chemistry Literature applied to the benzane system - a six membered cyclic diene. Like in benzoic acids the correlation and the trend is the same but with higher Hammett r of 1.86 when compared to 1.00 of benzoic acid dissociation equilibriums. Suitable explanations are given.