Year: 2024
Type: article
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.
Source: Liquids
Institution: Universidade do Porto
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,137
Awards: G1286990824, G1483381719, G149645308, G2578531282, Instituto de Ciências Moleculares, Determinação e estabelecimento de modelos de previsão de propriedades termodinâmicas de fragrâncias químicas: ferramentas para avaliação de riscos ambientais, G3996608633, Centro de Investigação em Química da Universidade do Porto, G6997658380
OpenAlex ID: W4403335153