Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemical study of the monobromonitrobenzene 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. 2010, 42, 2, 169-176
ABSTRACT
The standard (p = 0.1 MPa) molar enthalpies of formation, of the 2-, 3-, and 4-monobromonitrobenzene isomers, in the crystalline phase, at T = 298.15 K, were derived from the standard massic energies of combustion, in oxygen, at T = 298.15 K, measured by rotating bomb combustion calorimetry. From the temperature dependence of the vapour pressures of these compounds, measured by the Knudsen effusion technique, their standard molar enthalpies of sublimation, at T = 298.15 K, were derived using the Clausius- Clapeyron equation. The combination of the values of the standard molar enthalpies of formation in the crystalline phase, and of the standard molar enthalpies of sublimation, yielded the standard molar enthalpies of formation in the gaseous phase. The results were interpreted in terms of enthalpic increments, and compared with estimated values applying the empirical scheme developed by Cox.
Compounds
# Formula Name
1 BrH hydrogen bromide
2 CO2 carbon dioxide
3 N2 nitrogen
4 H2O water
5 O2 oxygen
6 C6H4BrNO2 1-bromo-2-nitrobenzene
7 C6H4BrNO2 1-bromo-3-nitrobenzene
8 C6H4BrNO2 1-bromo-4-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
  • POMD
  • 6
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Clausius-Clapeyron
  • 1
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 27
  • POMD
  • 7
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Clausius-Clapeyron
  • 1
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 33
  • POMD
  • 8
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Clausius-Clapeyron
  • 1
  • 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
  • RXND
  • 8
  • 1
  • 2
  • 3
  • 4
  • 5
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1