Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Isothermal vapour-liquid equilibria and excess enthalpies for the binary mixtures containing an isomeric chlorobutane and diisopropyl ether

Montano, d.[diego], Gascon, I.[Ignacio], Bolts, R.[Rainer], Gmehling, J.[Jurgen], Lafuente, C.[Carlos]
Fluid Phase Equilib. 2011, 308, 1-2, 8-14
ABSTRACT
Isothermal vapour-liquid equilibria for the four binary mixtures formed by an isomer of chlorobutane (1-chlorobutane, 2-chlorobutane, 2-methyl-1-chloropropane, or 2-methyl-2-chloropropane) and diisopropyl ether has been studied at T = 288.15 K, 298.15 K, and 308.15 K. The experimental data have been satisfactorily checked for thermodynamic consistency using the method of van Ness. The isothermal vapour-liquid equilibrium data have been correlated using the Wilson equation and excess Gibbs energies have been calculated. Moreover, we have measured excess enthalpies at T = 298.15 K using an isothermal flow calorimeter; combining these excess enthalpies with excess Gibbs energies the corresponding entropic contributions to excess Gibbs energy have been obtained. The group contribution method UNIFAC has been used to predict the phase equilibrium behaviour of the mixtures at isothermal conditions.
Compounds
# Formula Name
1 C4H9Cl 1-chlorobutane
2 C4H9Cl 2-chlorobutane
3 C4H9Cl 2-chloro-2-methylpropane
4 C6H14O diisopropyl ether
5 C4H9Cl 1-chloro-2-methylpropane
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 3
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 3
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 3
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 3
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 3
  • POMD
  • 4
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 10
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 33
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 33
  • POMD
  • 2
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 10
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 36
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 36
  • POMD
  • 4
  • 5
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 10
  • POMD
  • 4
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 32
  • POMD
  • 4
  • 5
  • Mole fraction - 5 ; Gas
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 32
  • POMD
  • 4
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 8
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 33
  • POMD
  • 4
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 33