Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor-liquid equilibria and excess enthalpies of the binary systems 1- pentanol or 2-pentanol and 1-hexene or 1,2,4-trimethylbenzene for the development of biofuels

Moreau, A.[Alejandro], Segovia, J. J.[Jose J.], Bermejo, M. D., Martin, M. C.
Fluid Phase Equilib. 2018, 460, 85-94
ABSTRACT
Accurate experimental data of vapor-liquid equilibria (VLE) and excess enthalpies are reported for four binary systems: (1-pentanol + 1-hexene), (2-pentanol + 1-hexene), (1-pentanol + 1,2,4- trimethylbenzene) and (2-pentanol + 1,2,4-trimethylbenzene). An isothermal total pressure cell was used for measuring VLE at T = 313.15 K. The data were fitted using Margules, Wilson and NRTL equations. Excess enthalpies were measured at two different temperatures T = (298.15 and 313.15) K using an isothermal flow calorimeter and were correlated by the Redlich-Kister equation. All systems present a positive deviation from the Raoult's Law. An azeotropic behavior with maximum pressure is observed for the mixtures 1-pentanol or 2-pentanol with 1,2,4-trimethylbenzene. In addition, an endothermic behavior, which increases with temperature, is obtained when the alcohols are mixed with these hydrocarbons.
Compounds
# Formula Name
1 C5H12O pentan-1-ol
2 C6H12 hex-1-ene
3 C5H12O pentan-2-ol
4 C9H12 1,2,4-trimethylbenzene
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
  • 2
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Calculated using Barker's Method
  • 26
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26
  • POMD
  • 1
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 42
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Calculated using Barker's Method
  • 26
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26
  • POMD
  • 3
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 42
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Calculated using Barker's Method
  • 26
  • POMD
  • 1
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 42
  • POMD
  • 3
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Calculated using Barker's Method
  • 26
  • POMD
  • 3
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 42