The solubility of sodium diclofenac in several solvents such as acetone, ethyl acetate and dimethyl sulfoxide was studied, in the temperature range from 293.15 up to 313.15 K. The solubility of sodium diclofenac is of the same order of magnitude for acetone and ethyl acetate. The solubility of the drug in dimethyl sulfoxide is two orders of magnitude higher and it is of the same magnitude as in N,N-dimethylformamide, a solvent of the same class as dimethyl sulfoxide, concerning the solubility parameter. The experimental SLE data was modeled using the NRTL and a modified UNIQUAC model and both models were proven to give a good representation of the experimental data. The use of activity coefficients at infinite dilution for the description of the solid-liquid equilibrium was also considered. COSMO-RS predictions of the relative solubility of sodium diclofenac in the three solvents are shown to be in qualitative agreement with the experimental data.
Compounds
#
Formula
Name
1
C14H10Cl2NNaO2
sodium diclofenac
2
C3H6O
acetone
3
C4H8O2
ethyl acetate
4
C2H6OS
dimethyl sulfoxide
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
Molar enthalpy of transition or fusion, kJ/mol ; Crystal
Crystal
Liquid
Air at 1 atmosphere
DSC
1
POMD
1
Molar enthalpy of transition or fusion, kJ/mol ; Crystal