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

Calorimetric Study of Nitrile Group-Solvent Interactions and Comparison with Dispersive Quasi-Chemical (DISQUAC) Predictions

Marongiu, B.[Bruno], Porcedda, S.[Silvia], Falconieri, D.[Danilo], Piras, A.[Alessandra]
J. Chem. Eng. Data 2010, 55, 12, 5406-5412
ABSTRACT
A flow microcalorimeter, model 2277-LKB, has been used to determine excess enthalpies, HE, at 298.15 K, for liquid mixtures containing ethanenitrile, propanenitrile, butanentrile, or pentanenitrile + benzene or tetrachloromethane. These experimental results together with the literature data on thermodynamic properties of alkanenitrile + benzene or tetrachloromethane mixtures have been interpreted in terms of the dispersive quasi-chemical (DISQUAC) group contribution model. Two sets of structure-dependent interaction parameters, for the nitrile group/aromatic and for the nitrile group/tetrachloromethane contacts, have been obtained. The model provides a fairly consistent description of the excess Gibbs energy, GE, excess enthalpy, HE, and of activity coefficients at infinite dilution, ?i8, of the considered mixtures
Compounds
# Formula Name
1 C2H3N acetonitrile
2 C3H5N propanenitrile
3 C4H7N butanenitrile
4 C5H9N pentanenitrile
5 C6H6 benzene
6 CCl4 tetrachloromethane
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:6
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:3
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 5
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 11
  • POMD
  • 5
  • 2
  • 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
  • 5
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 16
  • POMD
  • 5
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 17
  • POMD
  • 6
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 14
  • POMD
  • 6
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 14
  • POMD
  • 6
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:2
  • 18
  • POMD
  • 6
  • 4
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:2
  • 17