Gas-phase enthalpies of formation of ethyl hydroxybenzoates: An experimental and theoretical approach
| Autor: | Henoc Flores, Julio M. Hernández-Pérez, J. Manuel Ledo, Fernando Ramos, E. Adriana Camarillo, J. M. Solano-Altamirano |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Work (thermodynamics)
Thermogravimetric analysis 010405 organic chemistry Chemistry Thermodynamics 02 engineering and technology Calorimetry 01 natural sciences Heat capacity Atomic and Molecular Physics and Optics Standard enthalpy of formation 0104 chemical sciences Gibbs free energy symbols.namesake Differential scanning calorimetry 020401 chemical engineering symbols Physical chemistry General Materials Science 0204 chemical engineering Physical and Theoretical Chemistry Hydroxybenzoates |
| Zdroj: | The Journal of Chemical Thermodynamics. 116:176-184 |
| ISSN: | 0021-9614 |
| Popis: | In this work, we report the molar enthalpies of formation of ethyl 2-, 3-, and 4-hydroxybenzoates in gas-phase at T = 298.15 K, derived from experimental techniques such as static-bomb combustion calorimetry, differential scanning calorimetry, and thermogravimetric analysis. We calculated as well the enthalpies of formation (of the same compound set) in gas-phase through the Gaussian G4 composite method, and a Boltzmann averaging procedure weighted with the Gibbs free energy. Finally, we discuss and compare experimental and theoretical results. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect