Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Crystal structure and thermochemical properties of bis(n-undecylammonium) tetrachlorozincate (C11H23NH3)2ZnCl4(s)

Lu, D.-F.[Dong-Fei], Di, [You-Ying], Dou, J.-M.[Jian-Min]
J. Chem. Thermodyn. 2012, 54, 217-222
ABSTRACT
A novel crystalline bis(n-undecylammonium) tetrachlorozincate (C11H23NH3)2ZnCl4(s) was synthesized by liquid phase reaction. X-ray single crystal diffraction technique, chemical analysis, and elementary analysis were used to determine crystal structure and chemical composition of the complex. Lattice potential energy was calculated to be UPOT = 873.05 kJ mol-1 from crystallographic data. Molar enthalpies of dissolution of the compound at different molalities in the double-distilled water were measured with an isoperibol solution-reaction calorimeter at T = 298.15 K. On the basis of Pitzer s electrolyte solution theory, molar enthalpy of dissolution of (C11H23NH3)2ZnCl4(s) at infinite dilution was calculated to be (42.67 +- 0.340) kJ mol-1, and sums of Pitzer parameters were obtained. In addition, the molar enthalpy of hydration of the cation [C11H23NH3]+ in the complex (C11H23NH3)2ZnCl4(s) was calculated to be (25.52 +- 0.878) kJ mol-1 by designing a thermochemical cycle based on lattice potential energy and molar enthalpy of dissolution of the title complex at infinite dilution.
Compounds
# Formula Name
1 C22H52Cl4N2Zn undecan-1-aminium tetrachlorozincate(II)
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
  • 1
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 2
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 15