Due to different polymorphs demonstrate significant variations in the drug properties such as solubility, stability and dissolution rate. In this work, we study the shape of the solubility profile of form X0 (the thermodynamically stable form at room temperature) in two mixtures of (n-propanol + acetone) and (isopropanol + acetone) at T = 278.15-318.15 K. The solubility value is a function of temperature and solvent composition. It increases at first and then decreases with the increasing concentration of acetone in mass fraction, and the composition dependence of the solubility has a maximum around mass fraction of acetone w = 0.6 at all investigated temperatures. The Jouyban-Acree model and CNIBS/R-K model are applied to correlate the solubility, and CNIBS/R-K model is more suitable. The values of dissolution standard Gibbs energy (deltaGsolo) and dissolution standard entropy (deltaSsolo) are all positive which indicate that the dissolution is not only endothermic but also entropy-driving.
Compounds
#
Formula
Name
1
C23H27Cl2N3O2
Aripiprazole
2
C3H6O
acetone
3
C3H8O
propan-1-ol
4
C3H8O
propan-2-ol
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.