Solubility and thermodynamic properties of 2-naphthoxyacetic acid in twelve mono-solvents

Li, Huimin; Wang, Yueru; Wu, Yidan; Liu, Yu; Li, Tao; Ren, Baozeng

doi:10.1016/j.jct.2022.106934

Cited by 10 publications

(6 citation statements)

References 40 publications

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“… a Taken from ref − ; δ d is dispersion cohesive energy, δ P is polar cohesive energy, δ h is hydrogen bonding, δ is the total solubility parameter; Δδ̅ and R a ( v ) are defined as measures of compatibility between two substances. …”

Section: Resultsmentioning

confidence: 99%

“…The δ d , δ P , and δ h of the solvent can be found in the literature; − the HSPs of the solute can be calculated by the following formula: δ d = ∑ F di V δ p = ∑ F pi 2 V δ h = ∑ E hi V where the term F d i is the contribution to the dispersive force of component i . F p i is the contribution to the polar force of component i .…”

Section: Thermodynamic Propertiesmentioning

confidence: 99%

“…Δ u 12 and Δ u 21 are binary cross-interaction parameters. The volume and surface area parameters of solvent were obtained by searching the relevant literature. ,, The values R and Q for L 1 can also be found in the literature . The parameters are showed in Tables and . r i = ∑ i R i V vw = 280.86 cm 3 · mol − 1 15.17 cm 3 · mol − 1 = 18.5142 q i = ∑ i Q i A vw = 40.55 × 10 9 cm 2 · m o l − 1 2.5 × 10 9 cm 2 · mol − 1 = 16.22 …”

Section: Thermodynamic Propertiesmentioning

confidence: 99%

“… a r is the volume parameter, and q is the surface area parameter. All the values of r and q for above solvents were taken from refs , , and . …”

Section: Thermodynamic Propertiesmentioning

confidence: 99%

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Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Li,

Ma,

Zhang

et al. 2024

J. Chem. Eng. Data

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In this work, a static analysis method was used to measure the solubility data of L 1 (1) (L 1 = 2, 6-bis{1-[(2isopropylphenyl)imino]ethyl}pyridine) in five pure solvents, andBased on the results of the experiment, it was concluded that the solubility of the three complexes also increased as the temperature increased. Eight thermodynamic models were used to correlate experimental solubility data. The results yielded a good fit with an average absolute relative deviation (ARD) of less than 3.5% and an average root mean square deviation (RMSD) of less than 0.15% for these models. In addition, the range of molecular electrostatic potentials of the three compounds was obtained by molecular electrostatic potential analysis. Reasons for solubility differences were analyzed by calculating the Hansen solubility parameters of L 1 . The solubility data measured in this paper can provide a theoretical basis and reference standard for the selection of reaction and recrystallization solvents in future experiments.

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Section: Resultsmentioning

confidence: 99%

Section: Thermodynamic Propertiesmentioning

confidence: 99%

Section: Thermodynamic Propertiesmentioning

confidence: 99%

“… a r is the volume parameter, and q is the surface area parameter. All the values of r and q for above solvents were taken from refs , , and . …”

Section: Thermodynamic Propertiesmentioning

confidence: 99%

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Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Li,

Ma,

Zhang

et al. 2024

J. Chem. Eng. Data

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“…The modified Apelblat model stands out as a widely employed and suitable model for the thermodynamic analysis of substances. Several studies have affirmed its efficacy in precisely depicting the relationship between temperature and solubility in diverse solvents, 21,22 thereby establishing a foundation for the credibility of solubility data. The model is defined by eq 5…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

Solubility Determination and Thermodynamic Model Analysis of Esculetin in Different Solvents from 273.15 to 318.15 K

Yang,

Yan,

Huang

et al. 2024

J. Chem. Eng. Data

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Esculetin is derived from the leaves of lemons of Rutaceae and the bark of bittersweet ash, belladonna, mandala, and Rehmannia plants. In this research, the solubility of esculetin in ten solvents such as ethyl acetate, isobutyl alcohol, water, methanol, acetonitrile, n-propyl alcohol, isopropyl alcohol, n-butanol, ethanol, and acetone was determined by utilizing static equilibrium-high performance liquid chromatography (HPLC) under standard atmospheric pressure conditions and temperatures in the range of 273.15 to 318.15 K. Among the above ten pure solvents, water displayed the least solubility, while methanol exhibited the highest solubility. At the same temperature (T = 273.15 ∼ 318.15 K), the solubility of esculetin increased with the increase of the molar ratio of soluble solvents. Similarly, when the temperature increases (T = 273.15 ∼ 318.15 K), the solubility of the three binary solvents increases under the condition of a constant molar ratio. The above results suggest that the main factor affecting the solubility of esculetin in the solvent may be the polarization/bipolarity of the solvent. The experimental data was fitted by five thermodynamic models (the Buchowski−Ksiazaczak λh model, the Modified Apelblat model, the Jouyban−Acree model, the SUN model, and the CNIBS/R-K model), and the relative average deviation and root-mean-square deviation of the data were calculated, which proved that the correlation of the solubility data and the five models was relatively good. XRD and DSC were used to detect the crystal form and stability of esculetin during the experiment.

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Solubility behavior investigation of 1,4-cyclohexanedione in ten pure organic solvents by solubility measurement, correlation, DFT calculation and thermodynamic analysis

Wan

et al. 2023

The Journal of Chemical Thermodynamics

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Solubility and thermodynamic properties of 2-naphthoxyacetic acid in twelve mono-solvents

Cited by 10 publications

References 40 publications

Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Solid–Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents

Solubility Determination and Thermodynamic Model Analysis of Esculetin in Different Solvents from 273.15 to 318.15 K

Solubility behavior investigation of 1,4-cyclohexanedione in ten pure organic solvents by solubility measurement, correlation, DFT calculation and thermodynamic analysis

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