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

Thermal and Volumetric Properties of Four Aqueous Aroma Compounds at Infinite Dilution

Dohnal, V.[Vladimir], Rehak, K.[Karel]
J. Chem. Eng. Data 2012, 57, 6, 1822-1828
ABSTRACT
Mixing enthalpies and densities of highly dilute aqueous solutions of four aroma compounds (propyl acetate, methyl butyrate, 2,3-butanedione, and cis-3-hexen-1-ol) were measured as a function of solution composition at several temperatures in the range from (288.15 to 318.15) K using a recently described tandem flow arrangement of isothermal mixing microcalorimeter and vibrating-tube densimeter. The dissolution of all the aroma compounds in water is strongly exothermic and accompanied with volume contraction. Based on the measured data, reliable values of infinite dilution partial molar excess enthalpy E, 1 H , partial molar volume 1 V , and partial molar excess volume E, 1 V of the studied solutes at infinite dilution in water were determined. Comparison to literature data is possible only for some of our results for esters and indicates excellent agreement. Thanks to high precision of our measurements, the temperature derivative properties, i.e. infinite dilution partial molar excess heat capacity and expansivity, could be evaluated also with a good accuracy. In addition, whenever necessary pure component data were available, enthalpies and heat capacities of hydration for the aroma compounds were calculated, too. The observed thermodynamic behavior for aqueous aroma solutes was briefly discussed in terms of molecular interactions.
Compounds
# Formula Name
1 H2O water
2 C5H10O2 propyl ethanoate
3 C5H10O2 methyl butanoate
4 C4H6O2 2,3-butanedione
5 C6H12O (Z)-3-hexen-1-ol
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
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 5
  • POMD
  • 2
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 51
  • POMD
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 53
  • POMD
  • 3
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 44
  • POMD
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 44
  • POMD
  • 4
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 66
  • POMD
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 64
  • POMD
  • 5
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 32
  • POMD
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 35