Version 1
: Received: 21 September 2024 / Approved: 23 September 2024 / Online: 24 September 2024 (09:18:11 CEST)
How to cite:
Freitas, V. L.; Silva, C. A. O.; Ribeiro da Silva, M. D. Thermodynamic Properties of Two Cinnamate Derivatives with Flavor and Fragrance Features. Preprints2024, 2024091831. https://doi.org/10.20944/preprints202409.1831.v1
Freitas, V. L.; Silva, C. A. O.; Ribeiro da Silva, M. D. Thermodynamic Properties of Two Cinnamate Derivatives with Flavor and Fragrance Features. Preprints 2024, 2024091831. https://doi.org/10.20944/preprints202409.1831.v1
Freitas, V. L.; Silva, C. A. O.; Ribeiro da Silva, M. D. Thermodynamic Properties of Two Cinnamate Derivatives with Flavor and Fragrance Features. Preprints2024, 2024091831. https://doi.org/10.20944/preprints202409.1831.v1
APA Style
Freitas, V. L., Silva, C. A. O., & Ribeiro da Silva, M. D. (2024). Thermodynamic Properties of Two Cinnamate Derivatives with Flavor and Fragrance Features. Preprints. https://doi.org/10.20944/preprints202409.1831.v1
Chicago/Turabian Style
Freitas, V. L., Carlos A. O. Silva and Maria D.M.C. Ribeiro da Silva. 2024 "Thermodynamic Properties of Two Cinnamate Derivatives with Flavor and Fragrance Features" Preprints. https://doi.org/10.20944/preprints202409.1831.v1
Abstract
The standard molar enthalpies of formation in the liquid phase for ethyl (E)-cinnamate and ethyl hydrocinnamate, two cinnamate derivatives with notable flavor and fragrance characteristics, were determined experimentally using combustion calorimetry in an oxygen atmosphere. To derive the gas-phase enthalpies of formation for these derivatives, their enthalpies of vaporization were measured using a high-temperature Calvet microcalorimeter and the vacuum drop micro-calorimetric technique. Additionally, a computational analysis employing the G3(MP2)//B3LYP composite method was conducted to calculate the gas-phase standard enthalpies of formation at T = 298.15 K for both compounds.
These findings enabled a detailed assessment and analysis of the structural and energetic effects of the vinyl and ethane moieties between the phenyl and carboxylic groups in the studied com-pounds. Considering the structural features of ethyl (E)-cinnamate and ethyl hydrocinnamate, a gas-phase enthalpy of hydrogenation analysis was conducted to explore their energetic profiles more thoroughly.
Keywords
Fragrance compounds; Enthalpy of combustion; Enthalpy of vaporization; Enthalpy of formation; Hydrogenation Enthalpy; Ethyl (2E)-3-phenylacrylate; ethyl 3-phenylpropanoate
Subject
Chemistry and Materials Science, Physical Chemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
