Solubility Measurement and Model Correlating of 6-Propyl-2-Thiouracil in Four Binary Solvents at 278.15–323.15 K

Liu, Wenju; Shen, Yanmin; Zeng, Fankun; Lu, Shuanghui; Li, Jun; Yang, Jinjin; Zhang, Kewen

doi:10.1021/acs.jced.1c00071

Cited by 8 publications

(8 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In order to verify the stability of MET·HCl during the entire experiment, we performed the DSC and TGA. − The melting temperature T m of MET·HCl was determined by the TGA and DSC (DSC-STA449 F3, NETZSH, Germany). Approximately, 3–5 mg of MET·HCl was added in an aluminum crucible.…”

Section: Methodsmentioning

confidence: 99%

Determination and Correlation of Solubility of Metformin Hydrochloride in Aqueous Binary Solvents from 283.15 to 323.15 K

Sun

Wang

et al. 2022

ACS Omega

View full text Add to dashboard Cite

Metformin hydrochloride (MET•HCl) is one of the most widely used oral hypoglycemic drugs in the world. In addition to hypoglycemic effects, MET•HCl also has anti-inflammatory, anti-tumor, anti-aging, and other effects, showing good efficacy and safety of single and combined treatment. The solubility of MET•HCl in water, water + N,N-dimethylformamide, water + acetonitrile, and water + n-propanol was measured by the gravimetric method under atmospheric pressure at temperatures ranging from 283.15 to 323.15 K. The solubility of MET•HCl has a positive correlation with temperature and water content. The experimental solubility data in binary solvents was correlated by the modified Apelblat model, CNIBS/R-K model, Apelblat− Jouyban−Acree model, and λh model. By comparing the average ARD % values of the four models, it is found that the modified Apelblat model (ARD % = 1.26) provides better correlation. Hansen solubility parameters and apparent thermodynamic parameters were calculated to analyze the solubility behavior, indicating that the dissolution process is endothermic and entropically favorable.

show abstract

Section: Methodsmentioning

confidence: 99%

Determination and Correlation of Solubility of Metformin Hydrochloride in Aqueous Binary Solvents from 283.15 to 323.15 K

Sun

Wang

et al. 2022

ACS Omega

View full text Add to dashboard Cite

show abstract

Section: Thermodynamic Modelmentioning

confidence: 99%

“…Therefore, we chose the Apelblat equation for thermodynamic calculations and expected to fit the solubility data of sodium theophylline using this equation to obtain better fitting results. [18][19][20][21] The Apelblat equation is where T is the absolute temperature (unit is K), x 1 is the mole fraction of the solute, and A, B, and C are empirical constants. The constants A and B represent the change in the activity coefficient of the solution and provide an indication of the effect of a non-ideal solution on the solubility of the solute; the parameter C reflects the effect of temperature on the enthalpy of melting.…”

Section: Apelblat Equationmentioning

confidence: 99%

Solubility and thermodynamic properties of sodium theophylline salt in aqueous sodium hydroxide solution at different temperatures

Dong

Kong

Liu

et al. 2023

Journal of Chemical Research

View full text Add to dashboard Cite

The solubility data of sodium theophylline salt in the water and aqueous sodium hydroxide systems with molarities of 0.00, 0.01, 0.10, 0.20, 0.49, and 0.96 mol kg−1 at temperatures ranging from 283.15 to 368.15 K are determined via the equilibrium method. The experimental results show that the solubility of sodium theophylline increases on increasing the temperature at the same concentration of NaOH solution and decreases with an increase in the NaOH concentration at the same temperature. These results correlate well with the polynomial empirical equation, the modified Apelblat equation, and the λh equation. At the same time, it is found that the modified Apelblat equation gives better correlation results than the polynomial empirical and the λh equations. The results show that the three models correlate well with the solubility data of sodium theophylline. The modified Van’t Hoff equation is used to estimate the thermodynamic properties including the dissolution enthalpy, the dissolution entropy, and the Gibbs free energy change of sodium theophylline when dissolved in aqueous NaOH solution at different concentrations. The solubility data and correlation results obtained from the experiments can provide basic data for the cooling crystallization, separation, and purification of sodium theophylline and are expected to be of great significance for the research and development of sodium theophylline and for caffeine production.

show abstract

“…To acquire sulfinpyrazone products with relatively high purity, solution crystallization is necessary. In the domains of pharmaceutical, petrochemical, food, fine chemical, and materials, solution crystallization is a high-efficiency and cost-effective process for solid material manufacturing, purification, and recovery. − Solubility data of pharmaceuticals in selected solvent systems act as a critical parameter in guiding the screening of crystallization mode and suitable solvents, which could significantly affect the development of the crystallization process. − However, to the best of our knowledge, there are currently no researchers reporting the solubility of sulfinpyrazone in detail and investigating the solubility behavior systematically. As a result, there is a strong need to determine the solubility data of sulfinpyrazone in various solvent systems in detail and study the solubility behavior comprehensively.…”

Section: Introductionmentioning

confidence: 99%

Solubility Behavior and Data Correlation of Sulfinpyrazone in Thirteen Pure Solvents from 283.15 to 323.15 K

Qiu,

Zhao,

Liu

et al. 2023

J. Chem. Eng. Data

View full text Add to dashboard Cite

This present work is the investigation of the solubility for sulfinpyrazone in 13 monosolvents, water, methanol, ethanol, n-propanol, isopropanol, n-butanol, sec-butanol, acetone, acetonitrile, 2-butanone, methyl acetate, ethyl acetate, and npentanol, via a static gravimetric method at temperatures ranging from 283.15 to 323.15 K under atmospheric pressure. The solubility magnitudes are in positive correlation with the absolute temperature in each solvent. Within the experimental temperature range, the solubility is the highest in acetonitrile (103.286 × 10 −3 at 323.15 K) and lowest in water (0.03597 × 10 −3 at 283.15 K). The rough sequences of solubility values in different solvents are methanol > n-pentanol > n-propanol > n-butanol > sec-butanol > ethanol > isopropanol and acetonitrile > acetone > 2-butanone > methyl acetate > ethyl acetate > water in alcohols and nonalcohol solvents, respectively. The results demonstrate that the solubility behaviors of sulfinpyrazone are affected by the combined effects of several factors involving solvent polarity, solvent−solvent intermolecular interactions (quantitatively characterized by cohesive energy density), and molecular structures (molecular sizes and properties of functional groups) of solvents and solutes. Additionally, the Apelblat equation and Yaws equation were employed to correlate the experimental solubility data of sulfinpyrazone in each investigated solvent. The results of average relative deviations and root-mean-square deviations as well as the values of Akaike Information Criterion and Akaike weights reveal that the calculated solubility values by the Apelblat equation are more consistent with the experimental data compared to those by the Yaws equation.

show abstract

Solubility Measurement and Model Correlating of 6-Propyl-2-Thiouracil in Four Binary Solvents at 278.15–323.15 K

Cited by 8 publications

References 27 publications

Determination and Correlation of Solubility of Metformin Hydrochloride in Aqueous Binary Solvents from 283.15 to 323.15 K

Determination and Correlation of Solubility of Metformin Hydrochloride in Aqueous Binary Solvents from 283.15 to 323.15 K

Solubility and thermodynamic properties of sodium theophylline salt in aqueous sodium hydroxide solution at different temperatures

Solubility Behavior and Data Correlation of Sulfinpyrazone in Thirteen Pure Solvents from 283.15 to 323.15 K

Contact Info

Product

Resources

About