Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Isobaric vapor-liquid equilibrium for binary system of methyl caprate + methyl laurate at 2, 4 and 6 kPa

Ding, Hui, Ke, Wenjing, Zhao, Dan, Wang, Lulu, Gao, Yujie, Liu, Shejiang
J. Chem. Thermodyn. 2018, 116, 241-247
ABSTRACT
In this work, we measured the isobaric vapor-liquid equilibrium (VLE) data for the binary system of methyl caprate (1) + methyl laurate (2) at 2,4 and 6 kPa with a modified Othmer still. The point consistency test of Van Ness test method was applied to check the thermodynamic consistency of all the experimental values, which guaranteed the reliability of our measurements. Afterwards, the experimental data were regressed by two activity coefficient models (Wilson, NRTL). Furthermore, we made the data prediction with the group contribution method (UNIFAC) and the COSMO-SAC model. The results of all the regressions and predictions are satisfying and reasonable, while the results provided by the NRTL model are relatively better than the other three models, with the root mean square deviations of temperature and vapor-phase mole fraction less than 0.33 K and 0.0069, respectively.
Compounds
# Formula Name
1 C11H22O2 methyl decanoate
2 C13H26O2 methyl dodecanoate
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
  • 1
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 39
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 39