Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Isobaric vapor-liquid equilibrium for binary system of methyl caprylate + methyl caprate at 2, 6 and 10 kPa

Ke, W.[Wenjing], Ding, H.[Hui], Gao, Y.[Yujie], Liu, S.[Shejiang], Xing, Z.[Zhongpeng], Gui, J.[Jianzhou], Liu, D.[Dan]
J. Chem. Thermodyn. 2017, 106, 145-152
ABSTRACT
The isobaric vapor-liquid equilibrium data for the binary system methyl caprylate (1) + methyl caprate (2) at 2, 6 and 10 kPa were measured with a modified Othmer still. All the experimental data were verified to be thermodynamically consistent according to the Van Ness test method. Two activity coefficient models (Wilson and NRTL) were applied to regress the experimental values. Furthermore, the group contribution method (UNIFAC) and the COSMO-SAC model were also employed to predict vapor-liquid equilibrium data. The four models reproduced the experimental values very well, while the NRTL model provided a slightly better result than the other three models, with the root mean square deviations of temperature and vapor-phase mole fraction less than 0.36 K and 0.0042, respectively.
Compounds
# Formula Name
1 C9H18O2 methyl octanoate
2 C11H22O2 methyl decanoate
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 39
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 39