Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Crystal Structure, Low-Temperature Heat Capacities, and Thermodynamic Properties of Bis(dodecylammonium) Tetrachlorocuprate (C12H28N)2CuCl4(s)

He, D.-H.[Dong-Hua], Di, Y.-Y.[You-Ying], Yao, Y.[Yao], Liu, Y.-P.[Yu-Pu], Dan, W.-Y.[Wen-Yan]
J. Chem. Eng. Data 2010, 55, 12, 5739-5744
ABSTRACT
Crystalline bis(dodecylammonium) tetrachlorocuprate (C12H28N)2CuCl4(s) was synthesized. Chemical analysis, elemental analysis, and X-ray crystallography were applied to characterize the composition and crystal structure of the compound. The lattice potential energy (UPOT) of the title compound was calculated to be 862.56 kJ*mol-1. Low-temperature heat capacities of the compound were measured by a precision automatic adiabatic calorimeter over the temperature range from (78 to 390) K. Two continuous solid-solid phase transitions were observed. The temperatures, molar enthalpies, and entropies of the two phase transitions were determined to be: Ttrs,1 = (329.03 +- 0.24) K, ?trsHm,1 = (64.24 +- 0.35) kJ*mol-1, ?trsSm,1 = (194.57 +- 1.09) J*K-1*mol-1, Ttrs,2 = (336.98 +- 0.18) K, ?trsHm,2 = (20.81 +- 0.30) kJ*mol-1, and ?trsSm,2 = (61.75 +- 0.87) J*K-1*mol-1, respectively. Two polynomial equations of heat capacity against the reduced temperature in the region of (78 to 311) K and (340 to 390) K were fitted by a least-squares method. On the basis of the two polynomials, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature of 298.15 K were calculated and tabulated with an interval of 5 K. In addition, two solid-solid phase transitions and a melting process of the title compound were verified by the differential scanning calorimetry (DSC) technique.
Compounds
# Formula Name
1 C24H56Cl4CuN2 bis(dodecylammonium) tetrachlorocuprate(II)
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Vacuum adiabatic calorimetry
  • 97
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Vacuum adiabatic calorimetry
  • 4
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Vacuum adiabatic calorimetry
  • 18