Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubilities and partial molar volumes of 1-methypropanedioate derivatives in supercritical carbon dioxide

Jin, J.[Jing], Yang, H.-J.[Hai-Jian], Zhang, N.[Ning], Chang, F.[Fei]
Fluid Phase Equilib. 2012, 334, 43-50
ABSTRACT
In present study, five new CO2-philic 1-methypropanedioate derivatives containing nonfluorous alkyl groups had been designed and synthesized. The solubilities of these compounds in supercritical carbon dioxide (scCO2) were investigated with a static analytical method at the temperature from 323 K to 343 K and in the pressure range of 9.3 13.7 MPa. All compounds showed high solubilities in supercritical CO2 at easily accessible temperatures and pressures. To correlate the experimental data, two density-based models proposed by Bartle and Chrastil were investigated. The correlation results showed good selfconsistency between the calculated and the measured values, which were in the range of 7.79 21.99% by Bartle model and 4.09 11.15% by Chrastil model. Additionally, according to the Kumar and Johnston theory, the partial molar volume -V2 of each compound in scCO2 was also calculated and the results were between -10788.4 and -1585.84.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C9H16O4 methyl pentyl malonate
3 C10H18O4 methyl hexyl malonate
4 C11H20O4 heptyl methyl malonate
5 C12H22O4 methyl octyl malonate
6 C13H24O4 methyl nonyl malonate
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
  • 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)
  • Liquid
  • Titration method
  • 15
  • 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)
  • Liquid
  • Titration method
  • 15
  • POMD
  • 1
  • 4
  • Mole fraction - 4 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Liquid
  • Titration method
  • 15
  • POMD
  • 1
  • 5
  • Mole fraction - 5 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Liquid
  • Titration method
  • 15
  • POMD
  • 1
  • 6
  • Mole fraction - 6 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Liquid
  • Titration method
  • 15