Solubility of three types of benzamide derivatives in toluene, ethyl acetate, acetone, chloroform, methanol, and water at temperatures ranging from 288.15 to 328.15K at atmospheric pressure

Chen, Jiangang; Nan, Guanjun; Yang, Rong; Zhang, San‐Qi; Bian, Xiaoli; Yang, Guangde

doi:10.1016/j.molliq.2015.01.045

Cited by 15 publications

(5 citation statements)

References 16 publications

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“…2). As expected, the mole fraction solubility of oxcarbazepine in all eight pure solvents was found to increase gradually in a temperature-dependent manner from 298.15 K to 318.15 K [11,12]. However, the extent of the increases in solubility varies between pure solvents.…”

Section: Solubility Of Oxcarbazepinesupporting

confidence: 76%

Solubility of oxcarbazepine in eight solvents within the temperature range T = (288.15–308.15) K

Nam

Kim

et al. 2017

The Journal of Chemical Thermodynamics

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Section: Solubility Of Oxcarbazepinesupporting

confidence: 76%

Solubility of oxcarbazepine in eight solvents within the temperature range T = (288.15–308.15) K

Nam

Kim

et al. 2017

The Journal of Chemical Thermodynamics

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“…It has been shown that these are novel alternatives to PI3K inhibitors and anticancer agents against A549, HCT116, 87MG, and B cell lines. 25 We used the experimental solubility data of these compounds in toluene, ethyl acetate, acetone, chloroform, methanol, and water that were published by Chen et al 26 at different temperatures. Only the melting point temperature of these solutes has been given, and the enthalpy of fusion is calculated as an adjustable parameter which is calculated simultaneously with the segment parameters.…”

Section: Resultsmentioning

confidence: 99%

Vapor–Liquid and Solid–Liquid Modeling with a Universal Quasichemical Segment-Based Activity Coefficient Model

Haghtalab

Seyf

2015

Ind. Eng. Chem. Res.

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A segment-based activity coefficient model is developed through UNIversal QUAsiChemical (UNIQUAC-SAC) and is applied for vapor-liquid and solid-liquid equilibrium calculations. We incorporated the conceptual segment approach of NRTL-SAC activity coefficient model with modification of binary interaction parameters for the conceptual segments. The conceptual segments are represented by n-hexane, dimethyl sulfoxide, nitromethane, and water as hydrophobic, polar attractive, polar repulsive, and hydrophilic, respectively. The UNIQUAC-SAC molecular parameters are obtained for 82 common solvents that 62 of them are the common solvents in the pharmaceutical industry.The UNIQUAC-SAC and NRTL-SAC models are employed to compute the vapor-liquid equilibrium of binary, ternary, and quaternary systems. In most cases, the UNIQUAC-SAC model gives a better prediction than the NERL-SAC model. Moreover, the UNIQUAC-SAC model is extended to modeling the solubility of the organic nonelectrolyte solute in common solvents. Finally using the UNIQUAC-SAC and NRTL-SAC models, the solubility of the several pharmaceutical solutes is calculated in single and two solvents and compared with the experiment.source of 40% of the anthropogenic volatile organic coumpounds. 3 A proper solvent selection results in faster product separation and purification, less solvent emission, higher yield, lower overall cost, and better production processes. Many approaches have been presented to allows one to select a suitable solvent so that the available methods may vary according to the employed tools. 4 The aspects such as property screening, computer-aided molecular design (CAMD), solubility estimation using thermodynamics models, reactivity assessment, HSE scoring are some examples of these approaches. From a standpoint of thermodynamics, solubility is as a key parameter for the selection of solvents in the pharmaceutical industry. 5 Activity coefficient property is a very important factor that is used in most chemical systems to account the effective concentration of a species in a mixture. Methods such as Robbins chart, UNIFAC as a group contribution method, radius of interaction analysis, and Hansen solubility parameters have been applied to identify candidate solvents for crystallization process. 6 Although systematic methods for solvent selection appeared during the 1960-1970s when the concept of Hanses's solubility parameters were introduced for paint formulation, but the Hansen model is a correlative method which requires the experimental data to obtain solubility parameters. 7 The UNIFAC group contribution method is an estimation approach which requires only the chemical structure. Although this model has shown limited utilities with some reasonable predictions for solubility of a few solid organic compounds, however the model is not suitable for solvent screening purposes. The key assumption of UNIFAC approach is not fulfilled for complex organic compounds with a molecular weight in the range of 200-600 g/mol. However the main reason is intramolec...

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“…To estimate the magnitude of the IL and the acid gas interaction, the level of order that takes place in the liquid/gas mixture and whether the process occurs spontaneously during H 2 S dissolution in the IL, the solution standard enthalpy (Δ sol H o ), the solution standard entropy (Δ sol S o ), and the solution standard Gibbs energy (Δ sol G o ) were calculated by using the classical thermodynamic Van’t Hoff’s approach described in eqs –, respectively. − true( ∂ ln X H 2 normalS ∂ ( 1 T − 1 T hm ) true) p = − Δ sol H o R Δ sol S o = false( Δ sol H o − Δ sol G o false) T hm Δ sol G o = − R T hm 0.25em × 0.25em Intercep where, R is the universal gas constant; T is the temperature; T hm is the mean harmonic temperature (the use of the mean harmonic temperature in eqs – is advantageous for enthalpy–entropy compensation and separates the chemical from statistical effects).…”

Section: Resultsmentioning

confidence: 99%

Solubility and Thermodynamic Parameters of H₂S/CH₄ in Ionic Liquids Determined by ¹H NMR

Zárraga,

Zapata,

Ibarra

et al. 2024

ACS Omega

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Natural gas remains an important global source of energy. Usually, sour gas from the well or refinery stream contains H 2 S among other contaminants that should be removed to fulfill permissible standards of use. Despite the use of different gas− liquid sour gas upgrading technologies, ionic liquids (ILs) have been recognized as promising materials to remove H 2 S from sour gas. However, data concerned with thermodynamic solution functions of H 2 S in ILs have scarcely been reported in the literature. In this work, solution 1 H NMR spectroscopy was employed for quantifying H 2 S soluble in [BMIM][Cl] and for gaining a better understanding of the H 2 S−IL interaction. Experiments were carried out in a Young-Tap NMR tube containing a saturated solution of H 2 S/CH 4 /[BMIM][Cl] and recording spectra from 298 to 333 K. The thermodynamic solution functions, determined from the Van't Hoff equation, showed that solubility of the H 2 S in the [BMIM][Cl] is an exothermic gas−liquid physisorption process (Δ sol H°= −66.13 kJmol −1 ) with a negative entropy change (Δ sol S°= −168.19 JK −1 mol −1 ). 1 H NMR spectra of the H 2 S/[BMIM][Cl] solution show a feature of strong solute−solvent interactions. However, solubility enthalpy is a fifth of the H−S bond energy value. Results from 1 H NMR spectroscopy also agree with those from the bench dynamic experiments.

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Solubility of three types of benzamide derivatives in toluene, ethyl acetate, acetone, chloroform, methanol, and water at temperatures ranging from 288.15 to 328.15K at atmospheric pressure

Cited by 15 publications

References 16 publications

Solubility of oxcarbazepine in eight solvents within the temperature range T = (288.15–308.15) K

Solubility of oxcarbazepine in eight solvents within the temperature range T = (288.15–308.15) K

Vapor–Liquid and Solid–Liquid Modeling with a Universal Quasichemical Segment-Based Activity Coefficient Model

Solubility and Thermodynamic Parameters of H₂S/CH₄ in Ionic Liquids Determined by ¹H NMR

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Solubility of three types of benzamide derivatives in toluene, ethyl acetate, acetone, chloroform, methanol, and water at temperatures ranging from 288.15 to 328.15K at atmospheric pressure

Cited by 15 publications

References 16 publications

Solubility of oxcarbazepine in eight solvents within the temperature range T = (288.15–308.15) K

Solubility of oxcarbazepine in eight solvents within the temperature range T = (288.15–308.15) K

Vapor–Liquid and Solid–Liquid Modeling with a Universal Quasichemical Segment-Based Activity Coefficient Model

Solubility and Thermodynamic Parameters of H2S/CH4 in Ionic Liquids Determined by 1H NMR

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Solubility and Thermodynamic Parameters of H₂S/CH₄ in Ionic Liquids Determined by ¹H NMR