Thermodynamics Research Center, ThermoML : Journal of Chemical and Engineering Data

Isobaric Vapor-Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Isopropyl Acetate, sec-Butyl Acetate, or Isoamyl Acetate at 101.3 kPa

Yin, X.[Xia], Du, C.[Chaochen], Li, J.[Jingjing], Jiang, W.[Wenbo], Ding, Y.[Yigang], Du, H.[Hongmei], Du, Z.[Zhiping], Yan, Z.[Zhiguo]
J. Chem. Eng. Data 2019, 64, 12, 5225-5231
ABSTRACT
Carbonate esters and esters were commonly used as solvents, reaction carrier and additives in the organic synthesis, pharmaceutical industry, and processing industries. The vaporliquid equilibrium (VLE) data are vital to the separation process or process simulation for separating solvents. Therefore, it is necessary to enrich a VLE database for carbonate esters and esters. In this study, isobaric VLE data for three systems of isopropyl acetate + diethyl carbonate (DEC), sec-butyl acetate + DEC, and DEC + isoamyl acetate at 101.3 kPa were determined for enriching the group interaction parameters for carbonate esters. Meanwhile, the thermodynamic consistency of the VLE data were tested using the Van Ness method modified by Fredenslund et al. The Wilson, NRTL, and UNIQUAC models were used and found have good consistency for all binary systems between the experimental and simulated data. At the same time, the VLE data were correlated by the UNIFAC-DMD model to supplement the group parameters for carbonate esters. The average absolute deviation (AAD) of the temperature of the activity coefficient model and the UNIFAC-DMD model is not less than 0.16K, and the AAD of the vapor phase mole fraction is not less than 0.0016. In addition, azeotropy did not occur in all binary systems.
Compounds
# Formula Name
1 C5H10O3 diethyl carbonate
2 C5H10O2 1-methylethyl ethanoate
3 C6H12O2 1-methylpropyl ethanoate
4 C7H14O2 3-methylbutyl ethanoate
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 16
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 16
  • POMD
  • 3
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 15
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15
  • POMD
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 15
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15