Thermodynamic study of selected monoterpenes
authors Stejfa, V; Fulem, M; Ruzicka, K; Cervinka, C; Rocha, MAA; Santos, LMNBF; Schroder, B
nationality International
journal JOURNAL OF CHEMICAL THERMODYNAMICS
author keywords Monoterpenes; Pinene; Vapor pressure; Heat capacity; Ideal-gas thermodynamic properties; Vaporization and sublimation enthalpy
keywords VAPOR-LIQUID-EQUILIBRIA; HEAT-CAPACITY; SMALL SAMPLES; BETA-PINENE; PRESSURE; CALORIMETER; NAPHTHALENE; TERPENES; DESIGN
abstract A thermodynamic study of important biogenic compounds, (-)-alpha-pinene, (-)-beta-pinene, (-)-cis-verbenol, and (-)-verbenone, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range from 238 to 313 K. The sublimation and vaporization enthalpies were derived from these measurements as well as directly determined by a Calvet high temperature microcalorimeter. Heat capacities of condensed phases were measured by Calvet and drop calorimetry in the temperature interval from 273 to 355 K. The thermodynamic properties of the ideal-gas state were calculated by combining statistical thermodynamics and density functional theory (DFT) calculations. The trends in thermodynamic properties within the group of compounds possessing similar molecular structures are discussed. (C) 2013 Elsevier Ltd. All rights reserved.
publisher ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
issn 0021-9614
year published 2013
volume 60
beginning page 117
ending page 125
digital object identifier (doi) 10.1016/j.jct.2013.01.009
web of science category Thermodynamics; Chemistry, Physical
subject category Thermodynamics; Chemistry
unique article identifier WOS:000315681200018
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