Benzanilide: on the crossroads of calorimetry, computations and concepts

• Type: Article in International Scientific Journal
• Date: 2006

Authors

Matos, MAR (Author) FCUP; Miranda, MS (Author) Other; Morais, VMF (Author) ICBAS; Liebman, JF (Author) Other

Journal

Title: Molecular Physics

Vol. 104 No. 22-24

Pages: 2855-2860

ISSN: 0026-8976

Publisher: Taylor & Francis

Indexing

ISI Web of Knowledge - 6 Citations

Scopus - 6 Citations

Scientific classification

FOS: Natural sciences > Physical sciences

Other information

Authenticus ID: P-004-H64

DOI: 10.1080/00268970600845870

Abstract (EN): The standard (p degrees = 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 = 298.15K 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.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 6