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

Solubilities of C-Tetraalkylcalix[4]resorcinarenes in SCCO2: Experimental Measurements, Characterization, and Correlation

Coelho, J.[Jose], Naydenova, G.[Greta], Miloshev, S.[Stoyan], Novakov, C.[Christo], Petrova, P.[Pavlina], Yankov, D.[Dragomir], Stateva, R.[Roumiana]
J. Chem. Eng. Data 2015, 60, 3, 909-918
ABSTRACT
The solubilities of two C-tetraalkylcalix[4]resorcinarenes, namely C-tetramethylcalix[4]resorcinarene and C-tetrapentylcalix[4]resorcinarene, in supercritical carbon dioxide (SCCO2) were measured in a flow-type apparatus at a temperature range from (313.2 to 333.2) K and at pressures from (12.0 to 35.0) MPa. The C-tetraalkylcalix[4]resorcinarenes were synthesized applying our optimized procedure and fully characterized by means of gel permeation chromatography, infrared and nuclear magnetic resonance spectroscopy. The solubilities of the C-tetraalkylcalix[4]resorcinarenes in SCCO2 were determined by analysis of the extracts obtained by HPLC with ultraviolet (UV) detection methodology adapted by our team. Four semiempirical density-based models, and the Soave Redlich Kwong cubic equation of state (SRK CEoS) with classical mixing rules, were applied to correlate the solubility of the calix[4]resorcinarenes in the SC CO2. The physical properties required for the modeling were estimated and reported.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C32H32O8 2,8,14,20-tetramethyl-4,6,10,12,16,18,22,24-octahidroxyresorci[4]arene, calix[4]resorcinarene
3 C48H64O8 2,4,6,8-tetrapentyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphan-1(4),1(6),3(4),3(6),5(4),5(6),7(4),7(6)-octaol
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 2 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 2
  • UV spectroscopy
  • 24
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Crystal - 3
  • UV spectroscopy
  • 24