Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties of (an ester + an alkane). XVI. Experimental HEm and V Em values and a new correlation method for (an alkyl ethanoate + an n-alkane) at 318.15 K

Ortega, J., Espiau, F., Toledo, F. J.
J. Chem. Thermodyn. 2004, 36, 3, 193-209
ABSTRACT
This work presents the measurements of HEm and V Em , obtained at a temperature of T ? 318:15 K and atmospheric pressure for a set of 30 binary mixtures composed of five alkyl ethanoates (methyl to pentyl) with six odd n-alkanes (C7 to C17). The results show that the mixing processes are endothermic in all cases, with regular increases in HEm with the molecular weight of the saturated hydrocarbon and diminishing with the alkanolic part of the ester. The change in V Em is also regular and similar to that of HEm. For data correlation, a new form of polynomial equation is used. In this, the so-called active fraction is used as a variable which, in turn, depends on the concentration of the mixture, giving acceptable estimations of the Gibbs function obtained in the isobaric (liquid+ vapor) equilibria for some of the mixtures studied. Finally, a molecular model which interprets the behavior of mixtures of alkyl ethanoates + n-alkanes and the results of residual quantities is proposed. To these binary systems some group contribution models are applied. A modified version of the UNIFAC model gives satisfactory results for enthalpies.
Compounds
# Formula Name
1 C3H6O2 methyl ethanoate
2 C4H8O2 ethyl acetate
3 C5H10O2 propyl ethanoate
4 C6H12O2 butyl ethanoate
5 C7H14O2 pentyl ethanoate
6 C7H16 heptane
7 C9H20 nonane
8 C11H24 undecane
9 C13H28 tridecane
10 C15H32 pentadecane
11 C17H36 heptadecane
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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 6
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 8
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 9
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 10
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 10
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 11
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 11
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • 6
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 1
  • 6
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 17
  • POMD
  • 1
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 1
  • 7
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 1
  • 8
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 1
  • 8
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 1
  • 9
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 17
  • POMD
  • 1
  • 9
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 1
  • 10
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 1
  • 10
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:4
  • 16
  • POMD
  • 1
  • 11
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 1
  • 11
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:4
  • 18
  • POMD
  • 2
  • 6
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 2
  • 6
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 7
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 7
  • 2
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 2
  • 8
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 17
  • POMD
  • 2
  • 8
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:4
  • 17
  • POMD
  • 2
  • 9
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 2
  • 9
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 2
  • 10
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 2
  • 10
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 15
  • POMD
  • 2
  • 11
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 20
  • POMD
  • 2
  • 11
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 15
  • POMD
  • 3
  • 6
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 17
  • POMD
  • 3
  • 6
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 15
  • POMD
  • 3
  • 7
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 16
  • POMD
  • 3
  • 7
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 3
  • 8
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 3
  • 8
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 3
  • 9
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 17
  • POMD
  • 3
  • 9
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 3
  • 10
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 3
  • 10
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 15
  • POMD
  • 3
  • 11
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 3
  • 11
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 13
  • POMD
  • 4
  • 6
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 4
  • 6
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 7
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 16
  • POMD
  • 7
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 4
  • 8
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 4
  • 8
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 17
  • POMD
  • 4
  • 9
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 17
  • POMD
  • 4
  • 9
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 4
  • 10
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 4
  • 10
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 4
  • 11
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 4
  • 11
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 6
  • 5
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 18
  • POMD
  • 6
  • 5
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 7
  • 5
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 16
  • POMD
  • 7
  • 5
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 5
  • 8
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 16
  • POMD
  • 5
  • 8
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 5
  • 9
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 19
  • POMD
  • 5
  • 9
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 5
  • 10
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 16
  • POMD
  • 5
  • 10
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16
  • POMD
  • 5
  • 11
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CALVET:UFactor:2
  • 15
  • POMD
  • 5
  • 11
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • SAME:UFactor:2
  • 16