3.3Correlation of solubility data with the modified Apelblat model
The mole fraction solubility of solute (xApl) was calculated using Eq. (3) according to this model [16]:
lnð ÞT : ð3Þ
In which, the coefficients A, B and C are the parameters of the modified Apelblat model which were determined by multivariate regression analysis [17,18]. The correlation between xe and xApl values of IBR in various ethanol + water cosolvent mixtures are presented in Fig. S2.
The resulting data of the modified Apelblat correlation are presented in Table 3. The RMSD values in various ethanol + water cosolvent mixtures were recorded in the range of (0.54 to 3.59) %. The values of R2 were recorded in the range of 0.9941 to 0.9995. These results showed good correlation of experimental solubilities with the modified Apelblat model.
Table 2
Parameters of Eq. (1) along with correlation coefficients (R2) and root mean square deviations (RMSD) for crystalline ibrutinib (IBR) in various ethanol + water cosolvent mixtures (m).
Table 3
Parameters of Eq. (3) along with R2 and RMSD values for crystalline IBR in various ethanol + water cosolvent mixtures (m).