Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

ABSTRACT

The standard (p = 0.1 MPa) molar enthalpies of formation in the liquid phase of three isomers of fluoroanisole were derived from the standard molar energies of combustion, in oxygen, to yield CO2(g) and HF 10H2O(l), at T = 298.15 K, measured by rotating bomb combustion calorimetry. The standard molar enthalpies of vaporization of these compounds, also at T = 298.15 K, were determined using Calvet microcalorimetry.The standard molar enthalpies of formation in the gaseous phase, at T = 298.15 K, were derived from the former two experimental quantities. These values are also compared with estimates based on two different methodologies: one using the empirical scheme developed by Cox and the other one based on highlevel density functional theory calculations using the B3LYP hybrid exchange-correlation energy functional at the 6-311++G(d,p) basis set. The computed values and the estimated values using the Cox method compare well with the experimental results obtained in this work.