Solubility Determination and Model Correlation of Pymetrozine and Evaluation of the Effect of Solvent Properties and Composition

Abstract

In this research, the purpose is to study the solid–liquid equilibrium solubility of pymetrozine and the influence of the solvent effect on solubility. The solubility of pymetrozine was measured by using a static equilibrium method. The solubility of pymetrozine increases with increasing temperature, and the solubility from high to low is dimethyl sulfoxide (DMSO, 0.8623 × 10–2, 298.15 K) > N,N-dimethylformamide (DMF, 0.5147 × 10–2, 298.15 K) > N-methyl pyrrolidone (NMP, 0.2946 × 10–2, 298.15 K) > 1,4-dioxane (0.6289 × 10–3, 298.15 K) > 2-propanol (0.3913 × 10–3, 298.15 K) > 1-butanol (0.3319 × 10–3, 298.15 K); moreover, in the binary solvents system, solubility increases to a maximum with increasing temperature and DMF (and NMP, DMSO, 1,4-dioxane) and then decreases with further increase of the cosolvent. The relationships between solubility and temperature together with solvent composition were described by six common models. The values of relative average deviation and root-mean-square deviation were no larger than 1.03% and 6.70 × 10–5, respectively. In order to choose the best model for pymetrozine, the Akaike information criterion (AIC) was used for assessing the relative suitability of selected models. Compared with calculation results of above models, the Apelblat equation is the best model for solubility correlation of pymetrozine in monosolvents because the value of AIC of the Apelblat equation is lowest and the value is −1113.03; besides, for mixed solvents, the Jouyban–Acree model is the best model. All in all, these correlation models were all appositeness for the solubility of pymetrozine in all experimental solvent systems.

Measurement and Correlation for Solubility of l-Alanine in Pure and Binary Solvents at Temperatures from 283.15 to 323.15 K

“…In addition, although the solubility of l -alanine in polar protic solvents was higher than that in polar aprotic solvents, the order in the two kinds of solvents was both inconsistent with the polarity, dipole moment, dielectric constant, and solubility parameter orders (the solvent properties can be seen in Table ). This indicated that the dissolution equilibrium of l -alanine was a complex phenomenon, which may be attributed to the comprehensive influence of various factors, such as solvent properties, molecular sizes and shapes, solute–solvent interactions, solvent–solvent interactions, solute–solute interactions, steric effect, etc. − From Figure b, there were some intersects between the solubility curves, which may result from the weight differences of the above factors under different temperatures. , …”

Measurement and Correlation for Solubility of Myo-inositol in Five Pure and Four Binary Solvent Systems

“…The KAT-LSER model proposed by Kamlet and co-workers has been widely used to express the Gibbs energy of solid–liquid phase equilibrium through the physical properties of both solute and solvent molecules. It was based on the linear contribution of several solute–solvent interactions to inspect the solvent effect on the solubility behavior, and the expression was given by eq . , …”

Solubility Behavior and Polymorphism of l-Arginine l-Pyroglutamate in Nine Pure Solvents and a Binary Water + Ethanol System

“…The average relative deviation (ARD, eq ) and root-mean-square deviation (RMSD, eq ) were calculated to evaluate the applicability and the accuracy of the solubility models. In addition, Akaike information criterion (AIC) and Akaike weight (ω i ) values were calculated to further evaluate the relative applicability of these thermodynamic models. − A detailed description of the symbols in all of the above formulas is given in Table .…”