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

Solubilities of Calix[6]arene and 4-tert-Butylcalix[4]arene in Pressurized Hot Water

Karasek, P.[Pavel], Planeta, J.[Josef], Roth, M.[Michal]
J. Chem. Eng. Data 2014, 59, 8, 2433-2436
ABSTRACT
Aqueous solubilities of calix[6]arene and 4-tert-butylcalix[4]arene were measured at temperatures of (433 to 533) K and (433 to 513) K, respectively, along the 5 MPa isobar. The relative rates of increase in the aqueous solubility with temperature, (? ln x2/?T)P,s, for the two solutes differ markedly, with values of 0.042 K 1 for calix[6]arene and 0.080 K 1 for 4-tert-butylcalix[4]arene. The solubility (equilibrium mole fraction) of 4-tert-butylcalix[4]arene is always lower than that of calix[6]arene at the same temperature, possibly reflecting the presence of four bulky 4-tert-butyl groups in the former molecule and also the presence of only four hydroxyl groups in the former molecule compared with six in the latter. Best-fit coefficients of the modified Apelblat equation are also reported for the two calixarenes.
Compounds
# Formula Name
1 C42H36O6 1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-12,32,52,72,92,112-hexaol
2 C44H56O4 p-tert-butylcalix[4]arene-25,26,27,28-tetrol
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
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 5