The standard molar enthalpy of formation a ' f m H (l) of the ionic liquid n-butyl-3- methylpyridinium dicyanamide has been determined at 298.15 K by means of combustion calorimetry. Vaporization of the ionic liquid into the nitrogen stream in order to obtain vaporization enthalpy has been attempted, but no vaporization was achieved. First-principles calculations of the enthalpy of formation in the gaseous phase have been performed for the ionic species using the G3MP2 theory. The combination of traditional combustion calorimetry with modern high-level quantum-chemical calculations allows estimation of the molar enthalpy of vaporization of the ionic liquid under study.
Compounds
#
Formula
Name
1
CO2
carbon dioxide
2
N2
nitrogen
3
H2O
water
4
O2
oxygen
5
C12H16N4
1-butyl-3-methylpyridinium dicyanamide
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 heat capacity at constant pressure, J/K/mol ; Liquid
Temperature, K; Liquid
Pressure, kPa; Liquid
Liquid
Small sample (50 mg) DSC
1
POMD
5
Mass density, kg/m3 ; Liquid
Temperature, K; Liquid
Pressure, kPa; Liquid
Liquid
Pycnometric method
1
RXND
5
1
2
3
4
Specific internal energy of reaction at constant volume, J/g