Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods
| Autor: | Kseniya V. Zherikova, E. N. Stepurko, Sergey P. Verevkin, Vladimir N. Emeĺyanenko, Dzmitry H. Zaitsau |
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| Rok vydání: | 2015 |
| Předmět: |
Standard enthalpy of reaction
Chemistry Enthalpy Thermodynamics Enthalpy of vaporization Condensed Matter Physics Standard enthalpy of formation Enthalpy of atomization chemistry.chemical_compound Enthalpy of sublimation Computational chemistry Sublimation (phase transition) Physical and Theoretical Chemistry Instrumentation Benzoic acid |
| Zdroj: | Thermochimica Acta. 622:18-30 |
| ISSN: | 0040-6031 |
| Popis: | Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gas-phase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes. |
| Databáze: | OpenAIRE |
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