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

Isobaric Vapor-Liquid Equilibria and Excess Properties for the Binary Systems of Methyl Esters + Heptane

Ortega, J.[Juan], Espiau, F.[Fernando], Tojo, J.[Jose], Canosa, J.[Jose], Rodriguez, A.[Ana]
J. Chem. Eng. Data 2003, 48, 5, 1183-1190
ABSTRACT
The behavior was investigated for several binary mixtures that were composed of five methyl esters (from methanoate to pentanoate) with n-heptane, by using different thermodynamic quantities as obtained from experimental results such as isobaric vapor-liquid equilibria at the pressure 101.32 kPa and the corresponding excess properties. The equilibrium data show that all the mixtures reveal a positive deviation from ideality and that they are consistent with a point-to-point test. All the mixtures studied, with the exception of methyl pentanoate + n-heptane, reveal an azeotrope. Various equations were used to treat the equilibrium data. The use of a new polynomial correlation with temperature-dependent coefficients was deemed to be convenient. Various theoretical models were used in this study, including UNIFAC and ASOG, but the Gmehling et al. version was found to be more acceptable when estimating excess enthalpies with differences of between (3 and 17)%.
Compounds
# Formula Name
1 C2H4O2 methyl methanoate
2 C3H6O2 methyl ethanoate
3 C4H8O2 methyl propanoate
4 C5H10O2 methyl butanoate
5 C6H12O2 methyl pentanoate
6 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
  • 1
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 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
  • EBULLIO:UFactor:8
  • 97
  • POMD
  • 6
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 6
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 6
  • 5
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 40
  • POMD
  • 6
  • 5
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 16
  • POMD
  • 6
  • 5
  • Mole fraction - 5 ; Gas
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • OTHER
  • 40
  • POMD
  • 1
  • 6
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 19
  • POMD
  • 1
  • 6
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 36
  • POMD
  • 1
  • 6
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • OTHER
  • 36
  • POMD
  • 1
  • 6
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 6
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 2
  • 6
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 25
  • POMD
  • 2
  • 6
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 16
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • OTHER
  • 25
  • POMD
  • 2
  • 6
  • Azeotropic composition: mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 2
  • 6
  • Azeotropic composition: mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 6
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 25
  • POMD
  • 6
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 6
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • OTHER
  • 25
  • POMD
  • 6
  • 3
  • Azeotropic composition: mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 6
  • 3
  • Azeotropic composition: mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 6
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 26
  • POMD
  • 6
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 16
  • POMD
  • 6
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • OTHER
  • 26
  • POMD
  • 6
  • 4
  • Azeotropic composition: mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 6
  • 4
  • Azeotropic composition: mole fraction - 4 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1