Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics of complexation of aqueous 18-crown-6 with barium ion: apparent molar volumes and apparent molar heat capacities of aqueous (18-crown-6 + barium nitrate) at temperatures (278.15 to 393.15) K, at molalities (0.02 to 0.33) mol.kg-1, and at the pressure 0.35 MPa

Ziemer, S. P., Niederhauser, T. L., Woolley, E. M.[Earl M.]
J. Chem. Thermodyn. 2005, 37, 9, 984-995
ABSTRACT
We have measured the densities at temperatures T = (278.15 to 368.15) K and heat capacities at T = (278.15 to 393.15) K of aqueous solutions of {18-crown-6 + Ba(NO3)2} at molalities m = (0.02 to 0.33) mol/kg and at the pressure 0.35 MPa. We have applied Young's Rule and have accounted for chemical speciation and relaxation effects to resolve Vphi and Cp,phi to include contributions of the 18-crown-6-Ba2+(aq) complex in the mixture. We have also calculated estimates of the change in volume deltarVm, the change in heat capacity deltarCp,m, the change in enthalpy deltarHm, and the equilibrium quotient log Q for formation of the complex at T = (278.15 to 393.15) K and m = (0 to 0.33) mol/kg in the mixture.
Compounds
# Formula Name
1 C12H24O6 1,4,7,10,13,16-hexaoxacyclooctadecane
2 BaN2O6 barium dinitrate
3 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
  • 3
  • 2
  • 1
  • Apparent molar heat capacity, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • XDSC:UFactor:0.5
  • 240
  • POMD
  • 3
  • 2
  • 1
  • Apparent molar volume, m3/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 110