Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemistry of ammonium based ionic liquids: Tetra-alkyl-ammonium nitrates - experiments and computations

Verevkin, S. P.[Sergey P.], Emel yanenko, V. N.[Vladimir N.], Krossing, I.[Ingo], Kalb, R.[Roland]
J. Chem. Thermodyn. 2012, 51, 107-113
ABSTRACT
In this work data of the molar enthalpies of formation of the ionic liquids [R4N][NO3] were measured by means of combustion calorimetry. The thermal behavior of [R4N][NO3] was studied using DSC. First-principles calculations of the enthalpy of formation in the gaseous phase have been performed for the ionic species using the G3MP2 theory. Enthalpies of formation of aqueous tetra-alkylammonium ions derived in this work are useful for prediction thermochemical properties of the ammonium based ionic liquids.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 N2 nitrogen
3 H2O water
4 O2 oxygen
5 C4H12N2O3 tetramethylammonium nitrate
6 C8H20N2O3 tetraethylammonium nitrate
7 C16H36N2O3 tetrabutylammonium nitrate
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
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 6
  • Solid-liquid equilibrium temperature, K ; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Crystal 1
  • DTA
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 7
  • Solid-liquid equilibrium temperature, K ; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Crystal 1
  • DTA
  • 1
  • RXND
  • 5
  • 1
  • 2
  • 3
  • 4
  • Molar enthalpy of reaction, kJ/mol
  • Static bomb calorimetry
  • 1
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • Molar enthalpy of reaction, kJ/mol
  • Static bomb calorimetry
  • 1
  • RXND
  • 7
  • 1
  • 2
  • 3
  • 4
  • Molar enthalpy of reaction, kJ/mol
  • Static bomb calorimetry
  • 1