Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental determination of enthalpy of 1-butyl-3-methylimidazolium iodide synthesis and prediction of enthalpies of formation for imidazolium ionic liquids

Kabo, G. J.[Gennady J.], Paulechka, Y. U.[Yauheni U.], Kabo, A. G.[Andrey G.], Blokhin, A. V.[Andrey V.]
J. Chem. Thermodyn. 2010, 42, 10, 1292-1297
ABSTRACT
The enthalpy of the 1-butyl-3-methylimidazolium iodide synthesis, its heat capacity and parameters of fusion were determined from calorimetric measurements. The standard molar enthalpy of formation for this compound in the crystal and liquid states at T = 298 K was determined from these results to be -(138 +- 6) kJ * mol-1 and -(119 +- 6) kJ * mol-1, respectively. With the use of the literature data and the results obtained in this work, a simple equation for calculation of the enthalpy of formation for 1-butyl-3-methylimidazolium compounds in the crystalline and liquid states is proposed. It was demonstrated that the additive scheme by Domalski and Hearing (1993) can be used for calculation of enthalpy of formation in the homologous series of ionic liquid forming compounds in the liquid state. However, for the crystalline state, all the analyzed additive schemes did not provide satisfactory description of the experimental data.
Compounds
# Formula Name
1 C4H6N2 1-methylimidazole
2 C8H15IN2 1-butyl-3-methylimidazolium iodide
3 C4H9I 1-iodobutane
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
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vacuum adiabatic calorimetry
  • 1
  • POMD
  • 1
  • 2
  • Molar enthalpy of solution, kJ/mol ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid - 1
  • ISOPERIBOL
  • 2
  • RXND
  • 3
  • 1
  • 2
  • Molar enthalpy of reaction, kJ/mol
  • Isoperibol Reaction Calorimeter
  • 1