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

Excess Properties and Isobaric Vapor-Liquid Equilibria for Binary Mixtures of Methyl Esters + tert-Butanol

Ortega, J.[Juan], Espiau, F.[Fernando], Postigo, M.[Miguel]
J. Chem. Eng. Data 2004, 49, 6, 1602-1612
ABSTRACT
This article presents the experimental values obtained for excess properties Hm E and Vm E at two temperatures and vapor-liquid equilibria at 101.32 kPa for a group of four binary mixtures composed of four methyl alkanoates (methanoate to butanoate) with tert-butyl alcohol. The application of a point-topoint test to the equilibria data showed that the systems studied were consistent. The binary mixture methyl propanoate + tert-butyl alcohol presents an azeotrope at xaz ) 0.726 and T ) 350.43 K. All data were correlated by using a new equation with temperature-dependent coefficients by adjusting the quantities of VLE and the Hm E simultaneously and modifying for each case the number of adjustable parameters. A good correlation was obtained for all mixtures. Application of the UNIFAC model to mixtures with tert-butyl alcohol produced inaccurate predictions with the version of Hansen et al. and acceptable estimates with the version of Gmehling et al. None of the models gave good estimates of the VLE of the methyl methanoate + tert-butyl alcohol mixture.
Compounds
# Formula Name
1 C5H10O2 methyl butanoate
2 C4H10O 2-methylpropan-2-ol
3 C2H4O2 methyl methanoate
4 C3H6O2 methyl ethanoate
5 C4H8O2 methyl propanoate
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
  • 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
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:64
  • 95
  • 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
  • VIBTUB:UFactor:4
  • 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
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:64
  • 85
  • 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
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:64
  • 103
  • 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
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:64
  • 98
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 36
  • POMD
  • 2
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 36
  • POMD
  • 2
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 16
  • POMD
  • 2
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 19
  • POMD
  • 2
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 33
  • POMD
  • 2
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 33
  • POMD
  • 2
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 34
  • POMD
  • 2
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 38
  • POMD
  • 2
  • 5
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 46
  • POMD
  • 2
  • 5
  • Mole fraction - 5 ; Gas
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 46
  • POMD
  • 2
  • 5
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 33
  • POMD
  • 2
  • 5
  • Excess molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 35
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 37
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 37
  • POMD
  • 2
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 35
  • POMD
  • 2
  • 1
  • Excess molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 34