Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental study on the thermochemistry of 3-nitrobenzophenone, 4-nitrobenzophenone and 3,3'-dinitrobenzophenone

Silva, M. A. V. R. d.[Manuel A.V. Ribeiro da], Amaral, L. M. P. F.[Luisa M. P. F.], Ortiz, R. V.[Rodrigo V.]
J. Chem. Thermodyn. 2011, 43, 4, 546-551
ABSTRACT
The standard (p = 0.1 MPa) molar enthalpies of combustion for the 3- and 4-nitrobenzophenones and for the 3,30-dinitrobenzophenone, in the crystalline state, were determined, at the temperature T = 298.15 K, using a static bomb combustion calorimeter. For these compounds, the standard molar enthalpies of sublimation at T = 298.15 K, were determined by Calvet microcalorimetry. For the 3- and 4-nitrobenzophenones the vapour pressures as function of temperature were measured by the Knudsen effusion technique and the standard molar enthalpies of sublimation at T = 298.15 K, were derived by the Clausius-Clapeyron equation. These values were used to derive the standard molar enthalpies of formation of the compounds in their condensed and gaseous phases, respectively. For 3- and 4-nitrobenzophenones, the standard (p = 0.1 MPa) molar enthalpies, entropies and Gibbs functions of sublimation, at T = 298.15 K, were derived. The derived standard molar enthalpies of formation in the gaseous state are analysed in terms of structural enthalpic increments.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 N2 nitrogen
3 H2O water
4 O2 oxygen
5 C13H9NO3 4-nitrobenzophenone
6 C13H9NO3 3-nitrobenzophenone
7 C13H8N2O5 3,3'-dinitrobenzophenone
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
  • 5
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 27
  • POMD
  • 5
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Drop calorimetry
  • 1
  • POMD
  • 6
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 27
  • POMD
  • 6
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Drop calorimetry
  • 1
  • POMD
  • 7
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calvet microcalorimetry
  • 1
  • POMD
  • 7
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Drop calorimetry
  • 1
  • RXND
  • 5
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1
  • RXND
  • 7
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1