J. Chem. Thermodynamics 120 (2018) 157–163 Contents lists available at ScienceDirect J. Chem. Thermodynamics journal homepage: www.elsevier.com/locate/jct Experimental and computational thermochemical study of two ﬂuorobenzazoles: 5-ﬂuoro-2-methylbenzoxazole and 5-ﬂuoro-2- methylbenzothiazole Ana L.R. Silva, Jorge M. Gonçalves, Maria D.M.C. Ribeiro da Silva Centro de Investigação em Química, Department of Chemistry and Biochemistry, Faculty of Science, University of Porto, Rua do Campo Alegre, 687, P-4169-007 Porto, Portugal article i nfo abstract Article history: An energetic study of 5-ﬂuoro-2-methylbenzoxazole (FMBO) and of 5-ﬂuoro-2-methylbenzothiazole Received 17 November 2017 (FMBT), in condensed and gaseous states, has been performed using calorimetric techniques and compu- Received in revised form 22 January 2018 tational calculations. The standard ðp ¼ 0:1 MPaÞ molar enthalpies of formation of FMBO and FMBT, in Accepted 23 January 2018 the liquid phase, at T = 298.15 K, were derived from the corresponding standard molar energies of com- Available online 31 January 2018 bustion, measured by rotating-bomb combustion calorimetry. At T = 298.15 K, the standard ðp ¼ 0:1 MPaÞ molar enthalpy of vaporization, for each compound, was determined, by a direct method, Keywords: using the vacuum drop microcalorimetric technique. For each compound, from this last value and from 5-ﬂuoro-2-methylbenzoxazole the enthalpy of formation
The Journal of Chemical Thermodynamics – Elsevier
Published: May 1, 2018
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