Thermodynamic Functions for the Solubility of 3-Nitrobenzonitrile in 12 Organic Solvents from <i>T</i>/K = (278.15 to 318.15)

Chen, Jiao; Chen, Gaoquan; Zheng, Min; Zhao, Hongkun

doi:10.1021/acs.jced.7b00615

Cited by 5 publications

(22 citation statements)

References 44 publications

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“…The equilibrium 4-chloro-2-nitroaniline solubilities in pure solvents are mathematically described via the Apelblat, − λ h , − Wilson − and nonrandom two-liquid (NRTL) models. − Additionally, the solvent effect on the 4-chloro-2-nitroaniline solubility in the studied solvents was studied by using the Kamlet–Taft linear solvation energy relationship …”

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

“…This equation is very appropriate for describing mathematically the mole fraction solubility of a solid in different solvents. This equation is expressed as − Herein, x refers to the 4-chloro-2-nitroaniline solubility in mole fraction in the different monosolvents at temperature T /K. A , B , and C are denoted as parameters of the Apelblat equation.…”

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

“…The λ h equation is expressed as eq , which is suggested to study the solvent activity along a saturation line. − It is another equation for mathematically describing the solid–liquid equilibrium of 4-chloro-2-nitroaniline dissolved in several neat solvents. …”

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

“…Moreover, the difference between T m and T tp is very minor. Consequently, the solute solubility dependence upon the temperature can be simplified to − …”

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

“…The activity coefficients mathematically described by the Wilson model − are given as for a binary system. …”

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

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4-Chloro-2-nitroaniline Solubility in Several Pure Solvents: Determination, Modeling, and Solvent Effect Analysis

2019

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The solubility of 4-chloro-2-nitroaniline in several neat solvents of ethylene glycol (EG), N-methyl pyrrolidone (NMP), methanol, ethanol, n-propanol, isopropanol, n-butanol, cyclohexane, acetonitrile, 1,4-dioxane, ethyl acetate, and water was attained via a shake-flask method from 278.15 to 323.15 K under the pressure of approximately 101.2 kPa. Within the examined temperature range, the mole fraction solubility of 4-chloro-2-nitroaniline increased with the rising temperature. The magnitude of solubility obeyed the sequence from high to low as: NMP > (ethyl acetate, acetonitrile) > 1,4-dioxane > methanol > ethanol > n-propanol > isopropanol > n-butanol > EG > cyclohexane > water. No polymorphic transformation or solvate formation took place in these neat solvents. The molecule interactions of solvent–solvent and solvent–solute were examined through a method of linear solvation energy relationship. The Wilson model, nonrandom two-liquid model, modified Apelblat equation, and λh equation were applied to mathematically describe the 4-chloro-2-nitroaniline solubility. The obtained maximum values of root-mean-square and relative average deviations were 31.83 × 10–4 and 3.79%, respectively, which showed that the modified Apelblat equation correlated better with the solubility data than the models. Also, the mixing property was resulted from the determined solubility data.

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Section: Phase Equilibrium Modelsmentioning

confidence: 99%

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

“…Moreover, the difference between T m and T tp is very minor. Consequently, the solute solubility dependence upon the temperature can be simplified to − …”

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

“…The activity coefficients mathematically described by the Wilson model − are given as for a binary system. …”

Section: Phase Equilibrium Modelsmentioning

confidence: 99%

See 3 more Smart Citations

4-Chloro-2-nitroaniline Solubility in Several Pure Solvents: Determination, Modeling, and Solvent Effect Analysis

2019

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Investigation into Solubility and Solvent Effect of 2-Aminopyridine in Different Mono-Solvents Over Temperatures from 273.15 to 313.15 K

Liu

et al. 2022

J. Chem. Eng. Data

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The solubility data of 2-aminopyridine in 13 neat solvents were determined using the shake-flask method, including methanol, N,N-dimethylformamide (DMF), n-propanol, isopropanol, ethanol, n-butanol, N-methyl-2-pyrrolidine (NMP), isobutanol, n-hexane, cyclohexane, acetonitrile, amyl acetate, and n-propyl acetate. The mole fractions of 2-aminopyridine in equilibrium liquid phase rose with the increase in temperature and followed the decreasing order in different solvents: NMP > DMF > methanol > ethanol > n-propanol > n-butanol > n-propyl acetate > amyl acetate > isopropanol > isobutanol > acetonitrile > n-hexane > cyclohexane. The λh equation, NRTL model, modified Apelblat equation, and Wilson model were used to fit them. The greatest root-mean-square deviation value and relative average deviation value obtained were 160.4 × 10–4 and 4.46 × 10–2, respectively. For a given solvent, the modified Apelblat equation produced lower relative average deviation values than the other equations. The mixing characteristics, infinitesimal concentration activity coefficient, and reduced excess enthalpy were also calculated. Furthermore, the degree and type of interactions of solute–solvent and solvent–solvent were identified utilizing the relationship analysis of Kamlet and Taft linear solvation energy of solvent effect.

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Determination and Modeling of Artesunate Solubility in 13 Pure Solvents at 283.15–323.15 K

Yang

Wang

et al. 2022

J. Chem. Eng. Data

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In this paper, the solubility of artesunate, a drug for the treatment of malaria, was determined by a laser dynamic method in 13 pure solvents (including seven alcohols and six esters) in the temperature range from 283.15 to 323.15 K under a pressure of 101.3 KPa. The solubility of artesunate in the 13 pure solvents increases with increasing temperature and follows the order: ethanol > amyl alcohol > propanol > methyl propionate > ethyl acetate > butanol > isopropanol > isobutanol ≈ isoamyl alcohol > propyl acetate > butyl acetate > isopropyl acetate > amyl acetate. Three semi-empirical models (modified Apelblat, three-parameter Van’t Hoff, and λh model) and two activity coefficient models (Wilson and NRTL) have been used to correlate the experimental data. Moreover, the mixing thermodynamic properties (Δmix G, Δmix S, and Δmix H) of solutions have been estimated using the solubility data and the regressed Wilson model parameters.

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Thermodynamic Functions for the Solubility of 3-Nitrobenzonitrile in 12 Organic Solvents from T/K = (278.15 to 318.15)

Cited by 5 publications

References 44 publications

4-Chloro-2-nitroaniline Solubility in Several Pure Solvents: Determination, Modeling, and Solvent Effect Analysis

4-Chloro-2-nitroaniline Solubility in Several Pure Solvents: Determination, Modeling, and Solvent Effect Analysis

Investigation into Solubility and Solvent Effect of 2-Aminopyridine in Different Mono-Solvents Over Temperatures from 273.15 to 313.15 K

Determination and Modeling of Artesunate Solubility in 13 Pure Solvents at 283.15–323.15 K

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