Thermochemistry of 2,2'-dipyridil N-oxide and 2,20-dipyridil N,N'-dioxide. The dissociation enthalpies of the N-O bonds
Santos, A. F. L. O. M.[Ana Filipa L.O.M.], Monteiro, A. R.[Andre R], Goncalves, J. M.[Jorge M.], Acree, Jr., W. E.[William E.], da Silva, M. D. M. C. R.[Maria D. M. C. Ribeiro]
In this paper, the first, second and mean (N-O) bond dissociation enthalpies (BDEs) were derived from the standard (p = 0.1 MPa) molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, of 2,20-dipyridil N-oxide and 2,20-dipyridil N,N0-dioxide. These values were calculated from experimental thermodynamic parameters, namely from the standard (p = 0.1 MPa) molar enthalpies of formation, in the crystalline phase, at T = 298.15 K, obtained from the standard molar enthalpies of combustion, measured by static bomb combustion calorimetry, and from the standard molar enthalpies of sublimation, at T = 298.15 K, determined from Knudsen mass-loss effusion method.
Compounds
#
Formula
Name
1
CO2
carbon dioxide
2
N2
nitrogen
3
H2O
water
4
O2
oxygen
5
C10H8N2O
2,2'-bipyridyl N-oxide
6
C10H8N2O2
2,2'-bipyridine-N,N'-dioxide
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
Vapor or sublimation pressure, kPa ; Crystal
Temperature, K; Crystal
Crystal
Gas
Calculated from knudsen effusion weight loss
20
POMD
6
Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
Temperature, K; Crystal
Crystal
Gas
Derived by Second law
6
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