Thermodynamic models for determination of solid–liquid equilibrium of the 6-benzyladenine in pure and binary organic solvents

Li, Tao; Deng, Renlun; Wu, Gang; Gu, Pengfei; Hu, Yonghong; Yang, Wenge; Yu, Yemin; Zhang, Yuhao; Yang, Chen

doi:10.1016/j.jct.2016.12.002

Cited by 8 publications

(6 citation statements)

References 25 publications

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“…Apelblat and his colleagues first proposed a modified Apelblat model, − and this formula (), which accurately describes the relationship between the solubility of the solute in the solution system and the system temperature, is as follows: …”

Section: Theoretical Aspectsmentioning

confidence: 99%

Determination and Analysis of Solubility of 4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline in Ten Pure Solvents and Three Binary Solvent Mixtures at Different Temperatures (T = 278.15–323.15 K)

et al. 2021

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In this study, the data on solid–liquid equilibrium of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline were studied by the gravimetric method. The solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline was measured in 10 pure solvents (ethyl acetate, tetrahydrofuran, acetonitrile, dichloromethane, acetone, methanol, acetylacetone, n-propanol, n-butanol, and water) and three binary solvent mixtures (water + tetrahydrofuran, acetone + n-butanol, and ethyl acetate + n-propanol) in the temperature range of 278.15 to 323.15 K under atmospheric pressure. The experimental results show that the solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline in the abovementioned solvents increases with the increase of temperature. Among the 10 pure solvents, ethyl acetate has the highest solubility. The improved Apelblat model, Buchowski–Ksiazaczak λh model, Redlich–Kister (CNIBS/R-K) model, and Jouyban–Acree model are used for nonlinear fitting of experimental data, and the KAT-LSER model is also used to study the relationship between the solubility of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline in pure solvents and the interaction between solvent and solute molecules. The physical and chemical information of 4-[2-(N-methylcarbamyl)-4-pyridyloxy]aniline provided in this report may help its extraction/separation, recrystallization, purification, and formulation development.

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Section: Theoretical Aspectsmentioning

confidence: 99%

Determination and Analysis of Solubility of 4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline in Ten Pure Solvents and Three Binary Solvent Mixtures at Different Temperatures (T = 278.15–323.15 K)

et al. 2021

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“…The Jouyban–Acree (J–A) model, , developed by Jouyban-Gharamaleki, was known as the combined nearly-ideal binary mixture or the CNIBS/R-K model . It gives an accurate mathematical description of the dependence of solubility on the composition and temperature of binary solvents.…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

Solubility of Zaltoprofen in Five Binary Solvents at Various Temperatures: Data Determination and Thermodynamic Modeling

Sun

Wan

et al. 2020

J. Chem. Eng. Data

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The solubility of zaltoprofen in binary {2-methoxyethanol (ME) + ethyl acetate (EAC)/ethanol (ET), 2-ethoxyethanol (EE) + ethyl acetate (EAC)} from 278.15 to 323.15 K and 1,4-dioxane (Diox) + ethyl acetate (EAC)/ethanol (ET) from 288.15 to 323.15 K was determined using the dynamic method under 0.1 MPa. The Hansen solubility parameter provided a reasonable explanation for the dissolution behavior of zaltoprofen. Three new crystal forms appeared during the dissolution process. Then, the Jouyban–Acree model, the Jouyban–Acree–van’t Hoff model, the Jouyban–Acree–Apelblat model, the Sun model, and the Ma model closely correlated with the measured solubility data. As a result, the Ma model and the Sun model provided better fitting. The basic data could provide support for industrial design and purification optimization process of zaltoprofen.

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“…Crystallization is an important step to obtain high-purity products. The solubility of various substances in different solvent systems is important for the solid or liquid balance of the crystallization process. , 2-Amino-5-chloro-3-methylbenzoic acid plays a key role in the synthesis of chlorantraniliprole. Therefore, it is very important to separate and obtain high-purity 2-amino-5-chloro-3-methylbenzoic acid.…”

Section: Introductionmentioning

confidence: 99%

Solubility of 2-Amino-5-chloro-3-methylbenzoic Acid in Ten Pure Solvents and Three Groups of Binary Mixed Solvents at T = 278.15–323.15 K

Cui

Wang

et al. 2021

J. Chem. Eng. Data

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In this paper, the solubility of 2-amino-5-chloro-3-methylbenzoic acid under 0.1 MPa atmospheric pressure and temperature T = 278.15−323.15 K was determined by gravimetric analysis. Considering the safety and the cost of solvents, we selected the following 10 pure solvents and three binary mixed solvents: methanol, ethanol, n-butanol, acetone, acetonitrile, ethyl acetate, n-propanol, isopropanol, xylene, and n-hexane (n-hexane + acetone), (acetonitrile + acetone), and (methanol + acetone). The aim is to find suitable solvent systems for the recrystallization of 2amino-5-chloro-3-methylbenzoic acid. The results indicate that the solubility of 2amino-5-chloro-3-methylbenzoic acid is positively correlated with temperature, and the solubility of 2-amino-5-chloro-3-methylbenzoic acid is better in acetone. The modified Apelblat model, the Buchowski−Ksiazaczak λh model, the Redlich−Kister (CNIBS/R−K) model, and the Jouyban−Acree model were used to fit the solubility data of 2-amino-5-chloro-3-methylbenzoic acid in different solvents, and the experimental values were in good agreement with the calculated values. By comparing the four models, the modified Apelblat model was found to have a good correlation in pure solvents, and the Redlich−Kister (CNIBS/R−K) model was more suitable than the other two models in binary mixed solvents.

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Thermodynamic models for determination of solid–liquid equilibrium of the 6-benzyladenine in pure and binary organic solvents

Cited by 8 publications

References 25 publications

Determination and Analysis of Solubility of 4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline in Ten Pure Solvents and Three Binary Solvent Mixtures at Different Temperatures (T = 278.15–323.15 K)

Determination and Analysis of Solubility of 4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline in Ten Pure Solvents and Three Binary Solvent Mixtures at Different Temperatures (T = 278.15–323.15 K)

Solubility of Zaltoprofen in Five Binary Solvents at Various Temperatures: Data Determination and Thermodynamic Modeling

Solubility of 2-Amino-5-chloro-3-methylbenzoic Acid in Ten Pure Solvents and Three Groups of Binary Mixed Solvents at T = 278.15–323.15 K

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