Static bomb calorimetry and the Knudsen effusion mass-loss technique were used to derive, respectively, the standard (p = 0.1 MPa) molar enthalpy of formation, in the crystalline phase and the standard molar enthalpy of sublimation, at T = 298.15 K of 1-(2-aminophenyl)pyrrole. These experiments allowed the determination of its standard (p = 0.1 MPa) molar enthalpy of formation, in the gaseous phase, at T = 298.15 K, as (224.1 +- 2.4) kJ mol-1. The gas-phase enthalpy of formation of 1-(2-aminophenyl)pyrrole was also estimated by G3(MP2)// B3LYP calculations, which were further extended to the (aminophenyl)pyrroles that were not studied experimentally. Experimental and theoretical results are in very good agreement.
Compounds
#
Formula
Name
1
H2
hydrogen
2
N2
nitrogen
3
C
graphite
4
CO2
carbon dioxide
5
H2O
water
6
O2
oxygen
7
C10H10N2
1-(2-aminophenyl)pyrrole
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
7
Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
Temperature, K; Crystal
Crystal
Gas
Second Law analysis of vapor pressure data
1
POMD
7
Vapor or sublimation pressure, kPa ; Crystal
Temperature, K; Crystal
Crystal
Gas
Calculated from knudsen effusion weight loss
36
RXND
7
1
2
3
Molar enthalpy of reaction, kJ/mol
Static bomb calorimetry
1
RXND
7
4
2
5
6
Specific internal energy of reaction at constant volume, J/g