Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers

Ribeiro da Silva, M. A. V.[Manuel A. V.], Ferreira, A. I. M. C. L.[Ana I.M.C. Lobo], Santos, A. F. L. O. M.[Ana Filipa L.O.M.], Rocha, I. M.[Ines M.]
J. Chem. Thermodyn. 2009, 41, 11, 1239-1246
ABSTRACT
The standard op 1/4 0:1 MPaP molar enthalpy of formation, of the 2,5-dibromonitrobenzene, in the crystalline phase, at T = 298.15 K, was derived from the standard massic energy of combustion, in oxygen, at T = 298.15 K, measured by rotating bomb combustion calorimetry. The Knudsen mass-loss effusion technique was used to measure the vapour pressures of the crystal as a function of the temperature and applying the Clausius Clapeyron equation, the standard molar enthalpy of sublimation of the compound, at T = 298.15 K, was calculated. The combination of the values of the standard molar enthalpy of formation, in the crystalline phase, and the standard molar enthalpy of sublimation of the dibromonitrobenzene isomer, allowed the calculation of the standard op 1/4 0:1 MPaP molar enthalpy of formation, in the gaseous phase, at T = 298.15 K. Additionally, this value was estimated by employing two different methodologies. One based on the conventional Cox Scheme and another one, much more accurate, based on the values of the standard molar enthalpies of formation of 2- and 3-bromonitrobenzene already determined experimentally. Once the best approach was found, it was applied in the estimation of the standard molar enthalpies of formation of the other five isomers.
Compounds
# Formula Name
1 BrH hydrogen bromide
2 CO2 carbon dioxide
3 N2 nitrogen
4 H2O water
5 O2 oxygen
6 C6H3Br2NO2 1,4-dibromo-2-nitrobenzene
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
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 33
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1