Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa

Meneses, D. A.[David A.], Bejarano, A.[Arturo], de la Fuente, J. C.[Juan C.]
J. Chem. Thermodyn. 2014, 74, 16-21
ABSTRACT
The saturated vapor pressures of pure ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal, which are volatile compounds characteristic of apple aroma, were measured with a dynamic recirculation apparatus at a pressure range of (24.5 to 190.0) kPa. Measurements were made over the temperature range of (362.1 to 429.9) K for ethyl-2-methylbutyrate, (358.1 to 425.8) K for hexanal, and (373.5 to 446.2) K for (E)-2-hexenal. The maximum likelihood method was used to estimate the parameters of the Antoine equation, whereas the parameters of an extended Antoine equation and the Wagner equation were determined by non linear least square method. The three models showed root mean square deviations (rmsd) of 0.29%, 0.28%, and 0.27% for ethyl-2-methylbutyrate, 0.58%, 0.48%, and 0.38% for hexanal, and 0.89%, 0.62% and 0.36% for (E)-2-hexenal, respectively. Additionally, the experimental data and correlation were compared with those available in the literature.
Compounds
# Formula Name
1 C7H14O2 ethyl 2-methylbutanoate
2 C6H12O hexanal
3 C6H10O (E)-2-hexenal
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
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 19
  • POMD
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 19
  • POMD
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 19