Solubility and Dissolution Thermodynamics for 1,3,5-Trichlorobenzene in Organic Solvents

Li, Rongrong; Wang, Jian; Xu, Renjie; Du, Cunbin; Han, Sen; Meng, Long; Zhao, Hongkun

doi:10.1021/acs.jced.5b00607

Cited by 31 publications

(20 citation statements)

References 21 publications

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“…The solubility data of 5aminotetrazole in various pure solvents including methanol, ethanol, n-propanol, isopropanol, 1-butanol, toluene, acetone, acetonitrile, ethyl acetate, 1,4-dioxane, DMF, and NMP at temperatures "T = 283.15−323.15 K" and pressure P = 0.1 MPa were determined by the isothermal saturation method. 16,17 The reliability of our experimental technique has been verified in our previous work. 16,17 5-Aminotetrazole (an excess of solid powder was used) and 50 ml of pure solvent were added into the jacketed vessel.…”

Section: Solubility Measurementsupporting

confidence: 60%

“…16,17 The reliability of our experimental technique has been verified in our previous work. 16,17 5-Aminotetrazole (an excess of solid powder was used) and 50 ml of pure solvent were added into the jacketed vessel. A magnetic stirrer at 400 rpm was used to ensure the equilibrium of solutions at different temperatures.…”

Section: Solubility Measurementsupporting

confidence: 60%

“…Solubility data were correlated by the thermodynamic model with the least-squares method. Moreover, in this work, the relative average deviation (RAD) and root-mean-square deviation (RMSD) are employed, which are shown in eqs 5 and 5 where the number of experimental data points is expressed as N .…”

Section: Resultsmentioning

confidence: 99%

“…Moreover, in this work, the relative average deviation (RAD) and root-mean-square deviation (RMSD) are employed, which are shown in eqs 5 and 5. 16 i k j j j j j y…”

Section: λH Equationmentioning

confidence: 99%

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Solubility Determination, Correlation, and Solute–Solvent Molecular Interactions of 5-Aminotetrazole in Various Pure Solvents

Zhang

Gao

et al. 2019

J. Chem. Eng. Data

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The purpose was to evaluate solubility data and solute–solvent molecular interactions of 5-aminotetrazole in various pure solvents including methanol, ethanol, n-propanol, isopropanol, 1-butanol, toluene, acetone, acetonitrile, ethyl acetate, 1,4-dioxane, N,N-dimethylformamide (DMF), and N-methyl pyrrolidone (NMP) at temperatures “T = 283.15–323.15 K” and pressure “P = 0.1 MPa”. Solubility data were determined by the isothermal saturation method with the help of high-performance liquid-phase chromatography. Solubility data of 5-aminotetrazole obtained in mole fraction showed the maximum value in DMF (7.951 × 10–2), followed by NMP (7.415 × 10–2), 1,4-dioxane (6.523 × 10–2), toluene (3.811 × 10–3), isopropanol (1692 × 10–3), ethanol (1.752 × 10–3), acetone (1.620 × 10–3), n-propanol (1.566 × 10–3), methanol (1.470 × 10–3), ethyl acetate (1.393 × 10–3), 1-butanol (1.315 × 10–3), and acetonitrile (3.85 × 10–4) at T = 323.15 K. Moreover, properties of solvents such as the polarity and the Hildebrand solubility parameters were analyzed as well. The function of solubility values in pure solvents and the temperature were evaluated by the modified Apelblat equation and the λh equation. The maximum values of the relative average deviation and root-mean-square deviation are no more than 1.58 × 10–2 and 4.43 × 10–4, respectively, which indicated that good correlation was recorded between the experimental and calculated data. Then, the Akaike information criterion was used to select the more suitable model. Obtaining solubility data and correlative model parameters of 5-aminotetrazole and understanding the intermolecular forces in different solvents are particularly important in industrial synthesis and separation.

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Section: Solubility Measurementsupporting

confidence: 60%

Section: Solubility Measurementsupporting

confidence: 60%

Section: Resultsmentioning

confidence: 99%

“…Moreover, in this work, the relative average deviation (RAD) and root-mean-square deviation (RMSD) are employed, which are shown in eqs 5 and 5. 16 i k j j j j j y…”

Section: λH Equationmentioning

confidence: 99%

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Solubility Determination, Correlation, and Solute–Solvent Molecular Interactions of 5-Aminotetrazole in Various Pure Solvents

Zhang

Gao

et al. 2019

J. Chem. Eng. Data

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“…The solubility of sulfachloropyridazine in pure and binary solvents was determined by the isothermal saturation method , within the temperatures ranging from T = 283.15 to 323.15 K under atmosphere pressure. This work was similar to our previous research, and HPLC was employed to determine the solubility of sulfachloropyridazine in different solvents.…”

Section: Methodsmentioning

confidence: 68%

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

Chen

et al. 2018

J. Chem. Eng. Data

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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.

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An Investigation into the Solubility and Solution Thermodynamics of Cefpodoxime Proxetil in Different Solvents that Vary with Temperature

Bhola

Vaghani²,

Bhatt³

et al. 2022

Chemistry Africa

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Solubility and Dissolution Thermodynamics for 1,3,5-Trichlorobenzene in Organic Solvents

Cited by 31 publications

References 21 publications

Solubility Determination, Correlation, and Solute–Solvent Molecular Interactions of 5-Aminotetrazole in Various Pure Solvents

Solubility Determination, Correlation, and Solute–Solvent Molecular Interactions of 5-Aminotetrazole in Various Pure Solvents

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

An Investigation into the Solubility and Solution Thermodynamics of Cefpodoxime Proxetil in Different Solvents that Vary with Temperature

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