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