Solubility Determinationand Thermodynamic Analysisof 2,4-Dichlorobenzoic Acid in 10 Pure Solvents and Three Binary Solventsat 273.15–318.15 K

2,4-Dichlorobenzoic acid (2,4-DCBA) plays a pivotal role in the synthesis of drugs and materials. Its solubility was meticulously determined using a static equilibrium method in conjunction with HPLC, across 10 individual solvents and three solvent mixtures. It can be found that 2,4-DCBA exhibited high solubility in alcohol solvents. Notably, in the acetone–acetonitrile system, solubility rose markedly with an increase in the positive solvent’s fraction. In the methanol, ethanol, and acetonitrile mixtures, the solubility of 2,4-DCBA peaked when the positive solvent’s molar fraction reached 0.8, suggesting that binary solvents can outperform single solvents in terms of dissolution. XRD and TG-DSC confirmed that 2,4-DCBA did not decompose, and its crystal structure did not change significantly during the experiment. The improved Apelblat model and λ<i>h</i> model were used to fit and analyze the solubility data in a single pure solvent, and the CNIBS/R-K model, Jouyban–Acree model, and Sun model were used to process the solubility data in a binary solvent system. The reliability of the fitting results was confirmed by calculating the RAD and RMSD values of the thermodynamic models. Ultimately, the research utilized the KAT-LSER model to examine the impact of solvent characteristics on the solubility of 2,4-DCBA in individual solvents.

Publication Details

Journal
Figshare
Published
2025-02-06
DOI
https://doi.org/10.1021/acs.jced.4c00597.s001
Primary Topic
Mycorrhizal Fungi and Plant Interactions
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article
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article

Solubility Determinationand Thermodynamic Analysisof 2,4-Dichlorobenzoic Acid in 10 Pure Solvents and Three Binary Solventsat 273.15–318.15 K

Figshare
Mycorrhizal Fungi and Plant Interactions
article

Solubility Determinationand Thermodynamic Analysisof 2,4-Dichlorobenzoic Acid in 10 Pure Solvents and Three Binary Solventsat 273.15–318.15 K

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Abstract

2,4-Dichlorobenzoic acid (2,4-DCBA) plays a pivotal role in the synthesis of drugs and materials. Its solubility was meticulously determined using a static equilibrium method in conjunction with HPLC, across 10 individual solvents and three solvent mixtures. It can be found that 2,4-DCBA exhibited high solubility in alcohol solvents. Notably, in the acetone–acetonitrile system, solubility rose markedly with an increase in the positive solvent’s fraction. In the methanol, ethanol, and acetonitrile mixtures, the solubility of 2,4-DCBA peaked when the positive solvent’s molar fraction reached 0.8, suggesting that binary solvents can outperform single solvents in terms of dissolution. XRD and TG-DSC confirmed that 2,4-DCBA did not decompose, and its crystal structure did not change significantly during the experiment. The improved Apelblat model and λ<i>h</i> model were used to fit and analyze the solubility data in a single pure solvent, and the CNIBS/R-K model, Jouyban–Acree model, and Sun model were used to process the solubility data in a binary solvent system. The reliability of the fitting results was confirmed by calculating the RAD and RMSD values of the thermodynamic models. Ultimately, the research utilized the KAT-LSER model to examine the impact of solvent characteristics on the solubility of 2,4-DCBA in individual solvents.

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Clean water and sanitation
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Mycorrhizal Fungi and Plant Interactions
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