Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemistry of substituted thiophenecarbonitrile derivatives

Ribeiro da Silva, M. A. V.[Manuel A. V.], Santos, A. F. L. O. M.[Ana Filipa L.O.M.]
J. Chem. Thermodyn. 2008, 40, 2, 225-231
ABSTRACT
The standard (p = 0.1 MPa) molar energies of combustion in oxygen of 2-thiophenecarbonitrile, 3-thiophenecarbonitrile, 2-thiopheneacetonitrile, 3-thiopheneacetonitrile, and 3-methyl-2-thiophenecarbonitrile were measured, at T = 298.15 K, by rotating-bomb calorimetry. The standard molar enthalpies of vaporization of these compounds at T = 298.15 K were determined using high temperature Calvet microcalorimetry. These values were used to derive the standard molar enthalpies of formation of the title compounds in their crystalline and gaseous phases, respectively... The standard molar enthalpies of formation for the title compounds in the gaseous state were derived and the results are interpreted in terms of structural effects.
Compounds
# Formula Name
1 H2O4S sulfuric acid
2 CO2 carbon dioxide
3 N2 nitrogen
4 H2O water
5 O2 oxygen
6 C5H3NS 3-thiophenecarbonitrile
7 C6H5NS 2-thiopheneacetonitrile
8 C6H5NS 3-thiopheneacetonitrile
9 C6H5NS 3-methylthiophene-2-carbonitrile
10 C5H3NS 2-cyanothiophene
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
  • 6
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 7
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 8
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 9
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 10
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calvet microcalorimetry
  • 1
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 10
  • 1
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 1
  • 7
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 1
  • 8
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 1
  • 9
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1