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

The Water 18-Crown-6 System: Experimental Investigation and Thermodynamic Modeling

Kovalenko, N. A.[Nikita A.], Pustovgar, E. A.[Elizaveta A.], Uspenskaya, I. A.[Irina A.]
J. Chem. Eng. Data 2013, 58, 1, 159-166
ABSTRACT
Vapor pressures of binary aqueous solutions containing 18-crown-6 over a wide concentration range up to saturation were measured at (293.15 and 298.15) K, and activities of solvent were calculated. Melting enthalpies of 18-crown-6 octa- and dodecahydrates have been determined by the differential scanning calorimetry (DSC) method. The new experimental data and previously published literature data (activities of water, enthalpies of dilution, and solubility data) were used for thermodynamic modeling of the water 18-crown-6 system. As a result the phase diagram of the water 18-crown-6 system was constructed using the universal quasichemical (UNIQUAC) expression for the excess Gibbs energy of the liquid phase.
Compounds
# Formula Name
1 H2O water
2 C12H40O14 1,4,7,10,13,16-hexaoxacyclooctadecane octahydrate
3 C12H48O18 1,4,7,10,13,16-hexaoxacyclooctadecane dodecahydrate
4 C12H24O6 1,4,7,10,13,16-hexaoxacyclooctadecane
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
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 4; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 35