Thermochemical data of dibenzothiophene were studied in the present work by experimental techniques and computational calculations. The standard (p 1/4 0:1 MPa) molar enthalpy of formation, at T = 298.15 K, in the gaseous phase, was determined from the enthalpy of combustion and sublimation, obtained by rotating bomb calorimetry in oxygen, and by Calvet microcalorimetry, respectively. This value was compared with estimated data from G3(MP2)//B3LYP computations and also with the other results available in the literature.
Compounds
#
Formula
Name
1
H2O4S
sulfuric acid
2
CO2
carbon dioxide
3
H2O
water
4
O2
oxygen
5
C12H8S
dibenzothiophene
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, kJ/mol ; Crystal
Temperature, K; Crystal
Crystal
Gas
Drop calorimetry
1
POMD
5
Molar enthalpy of transition or fusion, kJ/mol ; Crystal
Temperature, K; Crystal
Crystal
Gas
Calvet microcalorimetry
1
RXND
5
1
2
3
4
Specific internal energy of reaction at constant volume, J/g