This contribution provides complementary experimental data of solubility (y2, molar fraction) of solid 1,3-dimethyl-7H-purine-2,6-dione (theophylline) in supercritical CO2 as a function of temperature (313 K ? T ? 333 K) and pressure (10 MPa ? P ? 44 MPa). A static-analytic methodology was used with standard deviations from average solubility measurements of ? 38 % and with estimated inherit errors ? 25 %. The solubility of theophylline increased with the CO2 density from 0.33*10-5 mol*mol-1 at 797.2 kg*m-3 (313 K, 16 MPa) to 3.3*10-5 mol*mol-1 at 890.2 kg*m-3 (333 K, 40 MPa). The solubility increased with pressure and temperature. Experimental solubilities were correlated with a density-based model with three adjustable parameters, which was valid for solvent densities in the range of (400 to 950) kg*m-3.
Compounds
#
Formula
Name
1
C7H8N4O2
3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
2
CO2
carbon dioxide
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 - 1 ; Fluid (supercritical or subcritical phases)
Temperature, K; Fluid (supercritical or subcritical phases)
Pressure, kPa; Fluid (supercritical or subcritical phases)