Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Excess molar volumes and excess molar enthalpies of binary and ternary mixtures of (ethanol or 1-butanol), triethylamine and n-hexane

Kwaterski, M.[Matthias], Rezanova, E. N.[Elena], Lichtenthaler, R. N.[Ruediger]
Fluid Phase Equilib. 2005, 237, 1-2, 170-185
ABSTRACT
Experimental data at 298.15Kand ambient pressure of excess molar volumes VE m and excess molar enthalpiesHEm are reported for two ternary and corresponding binary mixtures of an alkanol (ethanol or 1-butanol), triethylamine (TEA) and n-hexane. A vibrating-tube densitometer was used to determine VE m. HEm was measured using a quasi-isothermal flow calorimeter. The experimental results are used to test the applicability of the ERAS model for describing both thermodynamic excess properties of ternary mixtures containing an alkanol, a tertiary amine and a n-alkane. Qualitative agreement of calculated values with experimental resultswas achieved using only system-specific parameters determined from binary mixtures. The results are explained in terms of the self-association between alkanol molecules and cross-association between the alkanol and the tertiary amine.
Compounds
# Formula Name
1 C2H6O ethanol
2 C4H10O butan-1-ol
3 C6H15N triethylamine
4 C6H14 hexane
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 1
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 17
  • POMD
  • 1
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 23
  • POMD
  • 2
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 23
  • POMD
  • 2
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 31
  • POMD
  • 4
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 20
  • POMD
  • 4
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 22
  • POMD
  • 1
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 17
  • POMD
  • 1
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 17
  • POMD
  • 2
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 20
  • POMD
  • 2
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 35
  • POMD
  • 1
  • 4
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 104
  • POMD
  • 1
  • 4
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 111
  • POMD
  • 2
  • 4
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 113
  • POMD
  • 2
  • 4
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 104