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

Measurement and modeling of high pressure VLE for methyl acetate or ethyl acetate with 2-butanol. Isobaric data at 1.5 MPa

Badajoz, P. S.[Pedro Susial], Garcia, D.[Diego], Clavijo, Y.[Yanira], Susial, R.[Rodrigo], Martin, A.[Angel], Puras, J. S.[Jose Segovia]
J. Chem. Eng. Data 2016, 61, 3, 1136-1145
ABSTRACT
Vapor liquid equilibrium data for the binary systems methyl acetate + 2-butanol and ethyl acetate+2-butanol, have been determined at 1.5 MPa employing a metal ebulliometer with recirculation of both phases. The thermodynamic consistency of experimental data has been verified with the Van Ness point-to-point test, using the routine in Fortran proposed by Fredenslund et al. in which the second and third virial coefficients were calculated using the Tsonopoulos method and the Orbey and Vera procedure, respectively. Different group contribution models were employed for prediction of high pressure data. The UNIFAC Lyngby model returned good overall predictions. The ? ? approach was applied using the perturbed-chain statistical associating fluid theory model. This equation of state produces an acceptable agreement between experimental and calculated data in both systems.
Compounds
# Formula Name
1 C3H6O2 methyl ethanoate
2 C4H8O2 ethyl acetate
3 C4H10O butan-2-ol
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
  • Closed cell (Static) method
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 24
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 1; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 24
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 30
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 30