Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Crystal structure and thermochemical properties of n-octanammonium oxalate (C8H17NH3)2C2O4(s)

Zhang, L.-J.[Li-Jun], Di, Y.-Y.[You-Ying], Dou, J.-M.[Jian-Min]
J. Chem. Thermodyn. 2012, 50, 50-56
ABSTRACT
A novel compound n-octanammonium oxalate (C8H17NH3)2C2O4(s) was synthesized by the method of liquid phase reaction. Crystal structure of n-octanammonium oxalate was determined by X-ray crystallography. Lattice potential energy of the compound was calculated to be UPOT = 1050.90 kJ mol-1. Molar enthalpies of dissolution of the compound at different concentrations m /(mol kg-1) were measured by an isoperibol solution-reaction calorimeter at T = 298.15 K. According to the Pitzer's electrolyte solution theory, molar enthalpy of dissolution of the compound at infinite dilution and Pitzer parameters were obtained. The values of apparent relative molar enthalpies of the title compound and relative partial molar enthalpies of the solute and the solvent at different concentrations were derived from the experimental values of the enthalpies of dissolution. The enthalpy change of the synthesis reaction of n-octanammonium oxalate was determined to -(153.68 +/- 0.50) kJ mol-1 by an isoperibol solution-reaction calorimeter, and standard molar enthalpy of formation of (C8H17NH3)2C2O4(s) was calculated to be -(1463.60 +/- 2.45) kJ mol-1 by using the enthalpies of dissolution and other auxiliary thermodynamic quantities.
Compounds
# Formula Name
1 C18H40N2O4 1-octylammonium oxalate
2 H2O water
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
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 16