Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Excess molar volumes and excess molar enthalpies of binary and ternary mixtures of 1-butanol, a tertiary amine (tri-n-butylamine or tri-n-octylamine) and n-hexane: Experimental results and ERAS-model calculations

Kwaterski, M.[Matthias], Rezanova, E. N.[Elena], Lichtenthaler, R. N.
J. Chem. Thermodyn. 2006, 38, 10, 1199-1213
ABSTRACT
Experimental data at T = 298.15 K and ambient pressure of excess molar volumes V E m and excess molar enthalpies HE m are reported for two ternary and the corresponding binary mixtures of {1-butanol, tri-n-butylamine (TBA), or tri-n-octylamine (TOA), and n-hexane}. A vibrating-tube densitometer was used to determine V E m. HE m 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 an n-alkane. Qualitative agreement of calculated values with experimental results was achieved using only system-specific parameters determined from binary mixtures. The results are explained in terms of the self-association between alkanol molecules, cross-association between the alkanol and the tertiary amines and structural effects.
Compounds
# Formula Name
1 C4H10O butan-1-ol
2 C6H14 hexane
3 C12H27N tributylamine
4 C24H51N trioctylamine
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
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 21
  • 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
  • 15
  • POMD
  • 3
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 19
  • POMD
  • 3
  • 2
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 20
  • 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
  • 16
  • 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
  • 15
  • POMD
  • 2
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 28
  • POMD
  • 2
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 16
  • POMD
  • 1
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 7
  • POMD
  • 1
  • 2
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 8
  • POMD
  • 1
  • 3
  • 2
  • 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
  • 111
  • POMD
  • 1
  • 3
  • 2
  • 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
  • 80
  • POMD
  • 1
  • 2
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 49
  • POMD
  • 1
  • 2
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 72