The condensed phase standard (p = 0.1 MPa) molar enthalpy of formation of ethyl-2-thiophenecarboxylate was derived from the remeasured standard molar energy of combustion, in oxygen, at T = 298.15 K, by rotating bomb combustion calorimetry and the standard molar enthalpy of vaporization, at T = 298.15 K, remeasured by Calvet microcalorimetry. Combining these two values, the following enthalpy of formation in the gas phase, at T = 298.15 K, was then derived for ethyl-2-thiophenecarboxylate: (277.7 +- 2.9) kJ mol 1. The calculated gas-phase enthalpy of formation of the title compound, through the G3(MP2)//B3LYP approach was found to be 278.9 kJ mol 1, in excellent agreement with the experimental measured value.
Compounds
#
Formula
Name
1
H2O4S
sulfuric acid
2
CO2
carbon dioxide
3
H2O
water
4
O2
oxygen
5
S
sulfur
6
H2
hydrogen
7
C
graphite
8
C7H8O2S
ethyl 2-thiophenecarboxylate
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
8
Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
Temperature, K; Liquid
Liquid
Gas
Static calorimetry
1
RXND
8
1
2
3
4
Specific internal energy of reaction at constant volume, J/g