Experimental thermochemical study of 4,5-dichloro-2-nitroaniline

Abstract

The standard ( p ∘ = 0.1 MPa ) molar enthalpy of formation of 4,5-dichloro-2-nitroaniline, in the gaseous phase, at T = 298.15 K, was derived from the combination of the values of the standard molar enthalpy of formation, in the crystalline phase, at T = 298.15 K, and the standard molar enthalpy of sublimation, at the same temperature. The standard molar enthalpy of formation, in the crystalline phase, at T = 298.15 K, was derived as −(99.7 ± 1.6) kJ · mol −1 from the standard massic energy of combustion, in oxygen, measured by rotating-bomb combustion calorimetry. The standard molar enthalpy of sublimation was calculated, (109.4 ± 0.9) kJ · mol −1 by the application of the Clausius–Clapeyron equation, to the vapour pressures measured at several temperatures by Knudsen effusion technique. The standard molar enthalpies of formation, in the gaseous phase, of the six dichloro-2-nitroaniline isomers and of the four dichloro-4-nitroaniline isomers were estimated by the Cox Scheme and by the Domalski and Hearing group additivity method and compared with the available experimental values. For the Domalski and Hearing group additivity method four new correction terms were derived.