Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental thermochemical study of two chlorodinitroaniline isomers

Ribeiro da Silva, M. A. V.[Manuel A. V.], Ribeiro da Silva, M. D. M. C.[Maria D. M. C.], Santos, A. F. L. O. M.[Ana Filipa L.O.M.], Lobo Ferreira, A. I. M. C.[Ana I.M.C.], Galvao, T. L. P.[Tiago L.P.]
J. Chem. Thermodyn. 2010, 42, 4, 496-501
ABSTRACT
The standard (p = 1 MPa) molar enthalpies of formation of 2-chloro-4,6-dinitroaniline and 4-chloro- 2,6-dinitroaniline, in the gaseous phase, at T = 298.15 K, were derived from the combination of the values of the standard molar enthalpies of formation, in the crystalline phase, and of the standard molar enthalpies of sublimation, at the same temperature. The standard molar enthalpies of formation, in the crystalline phase, were derived from the standard massic energies of combustion, in oxygen, measured by rotating-bomb combustion calorimetry. The standard molar enthalpies of sublimation were calculated, by the application of the Clausius Clapeyron equation, to the vapour pressures at several temperatures, measured by Knudsen effusion technique. The values of the standard molar enthalpies of formation of 2-chloro-4,6-dinitroaniline and 4-chloro- 2,6-dinitroaniline, in the gaseous phase, at T = 298.15 K, are discussed in terms of enthalpic increments, and the enthalpy of isomerization between the two compounds is compared with the same parameter for two isomers of chloronitroaniline, studied in previous works.
Compounds
# Formula Name
1 ClH hydrogen chloride
2 CO2 carbon dioxide
3 N2 nitrogen
4 H2O water
5 O2 oxygen
6 C6H4ClN3O4 2-chloro-4,6-dinitrobenzenamine
7 C6H4ClN3O4 4-chloro-2,6-dinitroaniline
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 transition or fusion, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Static calorimetry
  • 2
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 36
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Static calorimetry
  • 2
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 27
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1
  • RXND
  • 7
  • 1
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1