Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids

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Article discussing thermochemical and theoretical studies of dimethylpyridine-2,6-dicarboxylate and pyridine-2,3-, pyridine-2,5- and pyridine-2,6-dicarboxylic acids.

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8 p.

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Matos, M. Agostinha R.; Morais, Victor M. F.; Silva, Maria D. M. C. Ribeiro da; Marques, Marta C. F.; Sousa, Emanuel A.; Castiñeiras, Jorge P. et al. May 6, 2005.

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Article discussing thermochemical and theoretical studies of dimethylpyridine-2,6-dicarboxylate and pyridine-2,3-, pyridine-2,5- and pyridine-2,6-dicarboxylic acids.

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8 p.

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Reprinted with permission from the Journal of Chemical and Engineering Data. Copyright 2005 American Chemical Society.

Abstract: The standard (p° = 0.1 MPa) molar enthalpies of formation for gaseous pyridine-2,5-dicarboxylate were derived from the standard molar enthalpies of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry, and the standard molar enthalpies of sublimation, at 298.15 K, measured by Calvet microcalorimetry: pyridine-2,5-dicarboxylic acid, -(580.6 ± 5.0) kJ•mol⁻¹; pyridine-2,6-dicarboxylic acid, -(608.0 ± 6.1) kJ•mol⁻¹; dimethylpyridine-2,3-dicarboxylic acid was also derived from combustion calorimetry measurements as -(733.1 ± 2.0) kJ•mol⁻¹. In addition, theoretical calculations using the density functional theory and the B3LYP/6-311G** hybrid exchange-correlation energy functional have been performed for these molecules in order to obtain the most stable geometries and to access their relative stabilities. The good correlation obtained between experimental and theoretical results allowed the estimation of the enthalpy of sublimation for pyridine-2,3-dicarboxylic acid.

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  • Journal of Chemical and Engineering Data, 2005, Washington D.C.: American Chemical Society, pp. 1184-1191

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  • Publication Title: Journal of Chemical and Engineering Data
  • Volume: 50
  • Issue: 4
  • Page Start: 1184
  • Page End: 1191
  • Peer Reviewed: Yes

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  • May 6, 2005

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  • June 20, 2013, 1:10 p.m.

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  • Jan. 9, 2015, 5:02 p.m.

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Matos, M. Agostinha R.; Morais, Victor M. F.; Silva, Maria D. M. C. Ribeiro da; Marques, Marta C. F.; Sousa, Emanuel A.; Castiñeiras, Jorge P. et al. Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids, article, May 6, 2005; [Washington, D.C.]. (digital.library.unt.edu/ark:/67531/metadc171462/: accessed December 14, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.