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

Experimental VLE data of Methyl Acetate or Ethyl Acetate with 2-Butanol at 0.3 and 0.6 MPa. Quality assessment and predictions.

Susial, P.[Pedro], Susial, R.[Rodrigo], Castillo, V. D.[Victor D.], Estupinan, E. J.[Esteban J.], Rodriguez-Henriquez, J. J.[Jose J.], Apolinario, J. C.[Jose C.]
J. Chem. Eng. Data 2014, 59, 9, 2763-2772
ABSTRACT
Isobaric vapor liquid equilibria for the binary system methyl acetate + 2-butanol at 0.3 MPa and 0.6 MPa and ethyl acetate + 2-butanol at 0.3 MPa and 0.6 MPa have been determined. Thermodynamic consistency was checked. The Redlich Kister and Herington area tests were employed. The Point test, Area test and Infinite dilution test (PAI) of Kojima et al. and the point-to-point test of Van Ness et al. were also applied. The different criteria for validation were considered, and all systems showed an acceptable quality. The results of global and individual deviations on experimental data calculated by using the Fredenslund et al. routine are shown. The different versions of the unique functional group activity coefficient (UNIFAC) and analytical solution of groups (ASOG) predictive group contribution models were applied. The experimental data were also correlated with the Peng Robinson equation applying quadratic mixing rules.
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
  • 3
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 16
  • POMD
  • 3
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 61
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 61
  • POMD
  • 3
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 21
  • POMD
  • 3
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 58
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 58