The solubility data of linezolid form II in five pure solvents (water, methanol, ethanol, 1-propanol, 2-propanol) and a binary (water+methanol) solvent were determined among the temperature range from 283.15 K to 318.15 K at atmospheric pressure. The results indicated that the solubility increased with the increasing temperature. Seven thermodynamic models were used here to correlate the experimental solubility data. Through the comparison of the experimental data in pure solvents with the calculated results, we found that the modified Apelblat equation fit the experimental data best. Furthermore, the density functional theory (DFT) calculations showed that the solubility in different solvents related to the interaction strength between the linezolid and the solvent molecules. Finally, the molar enthalpy change, molar entropy change and molar Gibbs free energy change of dissolution of linezolid in the different solvents were also calculated by van't Hoff equation in this paper.
Compounds
#
Formula
Name
1
C16H20FN3O4
Linezolid
2
CH4O
methanol
3
C2H6O
ethanol
4
C3H8O
propan-1-ol
5
C3H8O
propan-2-ol
6
H2O
water
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.