Experimental and computational thermochemical study of two fluorobenzazoles: 5-fluoro-2-methylbenzoxazole and 5-fluoro-2-methylbenzothiazole

Experimental and computational thermochemical study of two fluorobenzazoles:... 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 http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png The Journal of Chemical Thermodynamics Elsevier

Experimental and computational thermochemical study of two fluorobenzazoles: 5-fluoro-2-methylbenzoxazole and 5-fluoro-2-methylbenzothiazole

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier Ltd
ISSN
0021-9614
eISSN
1096-3626
D.O.I.
10.1016/j.jct.2018.01.022
Publisher site
See Article on Publisher Site

Abstract

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

Journal

The Journal of Chemical ThermodynamicsElsevier

Published: May 1, 2018

References

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