Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemical study of some dichloroacetophenone isomers

Silva, M. A. V. R. d.[Manuel A.V. Ribeiro da], Amaral, L. M. P. F.[Luisa M. P. F.]
J. Chem. Thermodyn. 2011, 43, 3, 255-261
ABSTRACT
The standard (p = 0.1 MPa) molar enthalpies of formation in the condensed phase, for 2',4'-, 2',5'-, and 3',4' -dichloroacetophenones were derived from the standard molar energies of combustion in oxygen, to yield CO2(g) and HCl 600H2O(l), at T = 298.15 K, measured by rotating bomb combustion calorimetry. The standard molar enthalpies of vapourization or sublimation, of these compounds, at T = 298.15 K were determined by Calvet microcalorimetry. For the 3',4'-dichoroacetophenone, the standard molar enthalpy of sublimation, at T = 298.15 K, was derived by the Clausius-Clapeyron equation, from the temperature dependence of the vapour pressures of this compound, measured by the Knudsen effusion technique. From the values of standard (p = 0.1 MPa) molar enthalpies of formation in the condensed phase (cr,l) and standard molar enthalpies of vapourization or sublimation the standard molar enthalpies of formation of the three isomers, in the gaseous phase, at T = 298.15 K were derived and compared with the same parameters estimated by the Cox Scheme.
Compounds
# Formula Name
1 H2O water
2 Cl2 chlorine
3 H2 hydrogen
4 C graphite
5 O2 oxygen
6 C8H6Cl2O 2',5'-dichloroacetophenone
7 C8H6Cl2O 2',4'-dichloroacetophenone
8 C8H6Cl2O 3',4'-dichloroacetophenone
9 CO2 carbon dioxide
10 ClH hydrogen chloride
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
  • vacuum sublimation
  • 1
  • POMD
  • 7
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • vacuum sublimation
  • 1
  • POMD
  • 8
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • vacuum sublimation
  • 1
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 27
  • RXND
  • 7
  • 10
  • 9
  • 1
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 6
  • 10
  • 9
  • 1
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 8
  • 10
  • 9
  • 1
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 7
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 7
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 6
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 6
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 8
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 8
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Rotating bomb calorimetry
  • 1