Solubility of Sulfachloropyridazine in Pure and Binary Solvent Mixtures and Investigation of Intermolecular Interactions

Abstract

The solubility of sulfachloropyridazine in pure methanol, ethanol, isopropanol, 1-butanol, water, acetonitrile, ethyl acetate, acetone, 1,4-dioxane and (methanol + water), (ethanol + water), and (isopropanol + water) binary solvent mixtures was determined by using a isothermal saturation method with temperatures ranging from (283.15 to 323.15) K. The descending order of the solubility in pure solvents was as follows: 1,4-dioxane > acetone > acetonitrile > ethyl acetate > methanol > ethanol >1-butanol > isopropanol > water. In three mixed solvents, the solubility of sulfachloropyridazine increased with increasing temperature and mass fraction of alcohol. At the same mass fraction of methanol, ethanol, or isopropanol and temperature, the solubility of sulfachloropyridazine in (methanol + water) was greater than that in the other mixed solvents. The obtained solubility data were correlated with modified Apelblat equation and Jouyban−Acree model. The results of correlation showed good agreement with experimental data; the largest values of relative average deviations and the root-mean-square deviations between the experimental and calculated solubilities were 3.61 × 10 −2 and 6.37 × 10 −4 , respectively. Furthermore, molecular dynamics simulation was carried out to explain the dissolving ability of the model compound.

Solubility Measurement and Correlation of Probenecid in 12 Pure Organic Solvents and Thermodynamic Properties of Mixing of Solutions

“…There is no new peak that appears as compared to the PXRD patterns of probenecid obtained from 12 different solvents to that of the raw material probenecid. That there is no phase transformation for probenecid before and after the solubility measurement experiments in these different solvents was confirmed by the identical PXRD patterns …”

Solubility Measurement and Thermodynamic Model Correlation of Baclofen in 12 Pure Organic Solvents

“…Moreover, the result correlation was evaluated by the relative average deviation (RAD), which is expressed as eq , …”

Determination and Model Correlation of Rhein in 12 Pure Solvents from 283.15 K to 323.15 K

“…Through the analysis of 1,4-dioxane and DMF properties, the solute molecules should belong to weakly polar compounds, which is also reflected in the alcohols. However, for ketone solvents, the solubility decreases with the decrease of dipolarity/polarizability (π cyclohexanone * , 0.76; π acetone * , 0.71; π 2‑butanone * , 0.67). − This may be caused by the joint action of the solvent cavity term effect and hydrogen bonds. It should be noted that there are more than one factor affecting the solubility.…”

“…As a semi empirical equation (eq ), the λh equation was used to describe the solid–liquid equilibrium behavior of rhein in a pure solvent as well. − λ and h are equation parameters and T m is the melting temperature of rhein, 604.15 K in this work …”