In this paper, we focused on solubility and solution thermodynamics of oxytocin. By gravimetric method, the solubility of oxytocin was measured in (acetonitrile + acetone) binary solvent mixtures from 278.15 K to 328.15 K under atmosphere pressure. The solubility data were fitted using modified Apelblat equation, a variant of the combined nearly ideal binary solvent/Redich-Kister (CNIBS/R K) model and Jouyban-Acree model. Computational results showed that the modified Apelblat equation was superior to the other two equations. In addition, the thermodynamic properties of the solution process, including the Gibbs energy, enthalpy, and entropy were calculated by the van't Hoff analysis. The experimental results showed that acetonitrile could be used as an effective anti-solvent in the crystallization process.
Compounds
#
Formula
Name
1
C43H66N12O12S2
oxytocin
2
C2H3N
acetonitrile
3
C3H6O
acetone
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.