Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

VLE of the binary systems (dimethyl carbonate with 2-propanol or 2-butanol) and (diethyl carbonate with methylcyclohexane) at 101.3 kPa

Pereiro, A. B., Rodriguez, A., Canosa, J., Tojo, J.
J. Chem. Thermodyn. 2005, 37, 3, 249-257
ABSTRACT
Isobaric vapour-liquid equilibria (VLE) have been experimentally determined for the binary systems (2-propanol + dimethyl carbonate (DMC), dimethyl carbonate + 2-butanol and methylcyclohexane + diethyl carbonate (DEC)) at 101.3 kPa. The activity coefficients were calculated to be thermodynamically consistent and were correlated with the Wilson, NRTL and UNIQUAC equations. ASOG and UNIFAC group contribution methods will be employed to predict these binary systems. Densities at T = (293.15 K, 298.15 K, 303.15 K, 308.15 K and 313.15) K and atmospheric pressure have been measured over the whole composition range for (DEC) + methylcyclohexane). Excess molar volumes have been calculated for each temperatures. A polynomial equation has been used to estimate the binary fitting parameters as a function of mole fraction and temperature. Standard deviations from the regression lines are shown for the binary mixture.
Compounds
# Formula Name
1 C5H10O3 diethyl carbonate
2 C3H6O3 dimethyl carbonate
3 C3H8O propan-2-ol
4 C4H10O butan-2-ol
5 C7H14 methylcyclohexane
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
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Normal boiling 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
  • 3
  • Normal boiling 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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 38
  • POMD
  • 4
  • Normal boiling 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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 41
  • POMD
  • 5
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 34
  • POMD
  • 1
  • 5
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 26
  • POMD
  • 1
  • 5
  • Mole fraction - 5 ; Gas
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 26
  • POMD
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 65
  • POMD
  • 3
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 32
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 32
  • POMD
  • 4
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 32
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 32