Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

In Situ Determination of Phase Equilibria of Methyl Benzoate + Alkane Mixtures Using an Infrared Absorption Method. Comparison with Polar GC-SAFT Predictions

NguyenHuynh, D., Passarello, J. P., Tobaly, P.
J. Chem. Eng. Data 2009, 54, 6, 1685-1691
ABSTRACT
Isothermal vapor-liquid equilibrium (VLE) data were measured for mixtures of methyl benzoate with four normal alkanes (from butane to heptane) at temperatures from (353.15 to 453.15) K using an in situ infrared absorption method already validated in previous work. With this method, a mathematical treatment of the absorption spectra allows the determination of the molar density of each species in the liquid phase. Mole fractions and bubble curves are then determined. The newly measured data are compared to calculations made using a purely predictive approach with the polar GC-SAFT equation of state. The agreement with the experimental data is satisfactory (less than 10 %) since the data were not used to determine the parameters of the model.
Compounds
# Formula Name
1 C8H8O2 methyl benzoate
2 C4H10 butane
3 C5H12 pentane
4 C6H14 hexane
5 C7H16 heptane
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
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 4
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 2
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 4
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 3
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 40
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 27
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 28
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 15