Thermochemistry of chromone- and coumarin-3-carboxylic acid

• Type: Article in International Scientific Journal
• Date: 2010

Authors

Agostinha A R Matos (Author) FCUP; Clara C S Sousa (Author) FCUP; Victor M F Morais (Author) ICBAS

Journal

Title: Journal of Thermal Analysis and Calorimetry

Vol. 100 No. 2

Pages: 519-526

ISSN: 1388-6150

Publisher: Springer Nature

Indexing

ISI Web of Knowledge - 5 Citations

Scopus - 6 Citations

Scientific classification

FOS: Natural sciences > Chemical sciences

Other information

Authenticus ID: P-003-744

DOI: 10.1007/s10973-009-0655-6

Abstract (EN): The standard (pA(0)A = 0.1 MPa) molar enthalpies of formation in the condensed state of chromone-3-carboxylic acid and coumarin-3-carboxylic acid were derived from the standard molar energies of combustion in oxygen at T = 298.15 K, measured by combustion calorimetry. The standard molar enthalpies of sublimation were obtained by Calvet microcalorimetry. From these values the standard molar enthalpies in the gaseous phase, at T = 298.15 K, were derived. Additionally estimates of the enthalpies of formation, of all the studied compounds in gas-phase, were performed using DFT and other more accurate correlated calculations (MCCM and G3MP2), together with appropriate isodesmic, homodesmic or atomization reactions. There is a reasonable agreement between computational and experimental results.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 8