Benzanilide: on the crossroads of calorimetry, computations and concepts

Abstract

The standard (p° = 0.1 MPa) molar enthalpy of formation for solid benzanilide was derived from the standard molar enthalpy of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry, and the standard molar enthalpy of sublimation, at T = 298.15 K, measured by Calvet microcalorimetry. From these experiments the standard molar enthalpy of formation of benzanilide in the gaseous phase at T = 298.15 K was calculated. In addition density functional theory calculations with the B3LYP functional and a variety of basis sets have been performed for benzanilide and some auxiliary molecules.

Acknowledgements

Thanks are due to Fundação para a Ciência e a Tecnologia, F.C.T., Lisbon, Portugal, for financial support to Centro de Investigação em Química of the University of Porto. M. S. Miranda thanks the F.C.T. for the award of her postdoctoral scholarship (BPD/5594/2001).