Formamide is one of the key compounds in organic chemistry. Surprisingly, the experimental thermochemical data for this compound are scarce. In this work, the standard molar enthalpy of formation in the gaseous state of formamide ?fHmdeg (g, 298.15 K) = (-188.6 +- 0.4) kJ*mol 1 has been derived from enthalpy of formation ?fHmdeg (l, 298.15 K) = (-571.4 +- 0.3) kJ*mol 1 (measured calorimetrically) and the molar enthalpy of vaporization ?1gHm = (62.2 +- 0.3) kJ*mol 1 obtained from the vapor pressure measurements. To verify the experimental data, first-principles calculations have been performed using density functional theory (DFT), MPn, W1U, CBS-n, and Gn methods.
Compounds
#
Formula
Name
1
CO2
carbon dioxide
2
N2
nitrogen
3
H2O
water
4
O2
oxygen
5
CH3NO
formamide
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 ; Liquid
Temperature, K; Liquid
Liquid
Gas
Transpiration method
17
RXND
5
1
2
3
4
Specific internal energy of reaction at constant volume, J/g