Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor pressure and thermophysical properties of eugenol and (+)-carvone

Vilas-Boas, Sergio M., Pokorny, Vaclav, Stejfa, Vojtech, Ferreira, Olga, Pinho, Simao P., Ruzicka, Kvetoslav, Fulem, Michal
Fluid Phase Equilib. 2019, 499, 112248
ABSTRACT
In this work, vapor pressures, liquid-phase heat capacities, and phase behavior of two monoterpenoids, (+)-carvone and eugenol were studied. The vapor pressure experiments were performed using a static method over an environmentally relevant range of temperatures, from 258 K to 308 K. Liquid-phase heat capacities were measured by Tian-Calvet calorimetry between 265 K and 355 K. The phase behavior was investigated by heat-flux differential scanning calorimetry from 183 K. Experimental data were supplemented by ideal-gas thermodynamic properties obtained by combining quantum chemical and statistical thermodynamic calculations. Vapor pressures and heat capacities obtained in this work along with selected literature values were treated simultaneously by multi-property correlation in order to obtain a consistent description of thermodynamically linked properties. To our knowledge, vapor pressure data for eugenol as a function of temperature and its liquid-phase heat capacities and phase behavior are reported for the first time in this work.
Compounds
# Formula Name
1 C10H14O d-carvone
2 C10H12O2 2-hydroxy-5-allylanisole
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 19
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 36
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal 2
  • Crystal 2
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 19
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 24
  • POMD
  • 2
  • Boiling temperature at pressure P, K ; Glass
  • Pressure, kPa; Glass
  • Glass
  • Liquid
  • DTA
  • 1