Thermochimica Acta, Vol.622, 18-30, 2015
Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods
Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gasphase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes. (c) 2015 Elsevier B.V. All rights reserved.
Keywords:Benzoic acid derivatives;Vapor pressure measurements;Enthalpy of sublimation;Enthalpy of vaporization;Enthalpy of fusion;Enthalpy of formation;Quantum-chemical calculations;Group-additivity