Solubility and thermodynamics of 6-phenyl-4,5-dihydropyridazin-3(2H)-one in various neat solvents at different temperatures

Imran, Mohd; Haq, Nazrul; Abida, Abida; Alanazi, Fars K.; Alsarra, Ibrahim A.

doi:10.1016/j.molliq.2017.05.032

Cited by 4 publications

(8 citation statements)

References 37 publications

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“…The apparent standard entropy (∆ sol S 0 ) values for PPD dissolution in binary DMSO + water systems were also recorded as positive values (4.74 to 13.01 J mol −1 K −1 ), suggesting entropy-driven dissolution of PPD in all DMSO + water systems and neat solvents [22]. The average ∆ sol H 0 , ∆ sol G 0 and ∆ sol S 0 values for PPD were computed as 18.71 kJ mol −1 , 15.99 kJ mol −1 and 8.83 J mol −1 K −1 with relative uncertainties of 0.44, 0.57 and 0.32, respectively.…”

Section: Thermodynamic Behavior Of Ppdmentioning

confidence: 92%

“…The average ∆ sol H 0 , ∆ sol G 0 and ∆ sol S 0 values for PPD were computed as 18.71 kJ mol −1 , 15.99 kJ mol −1 and 8.83 J mol −1 K −1 with relative uncertainties of 0.44, 0.57 and 0.32, respectively. Overall, the dissolution process of PPD was found to be endothermic and entropy-driven in all cosolvent mixtures and neat solvents studied [21,22].…”

Section: Thermodynamic Behavior Of Ppdmentioning

confidence: 93%

“…The apparent standard enthalpy (∆ sol H 0 ) values for PPD dissolution in binary DMSO + water systems and neat solvents were recorded as positive values (6.10 to 31.35 kJ mol −1 ), suggesting endothermic dissolution of PPD in all binary solvent systems and neat solvents [21,22].…”

Section: Thermodynamic Behavior Of Ppdmentioning

confidence: 99%

“…The resultant mixtures were located in the WiseBath ® WSB Shaking Water Bath (Model WSB-18/30/-45, Daihan Scientific Co. Ltd., Seoul, Korea) for a definite temperature (uncertainty of 0.12 K) and allowed to equilibrate for 72 h [17,21]. At the end of 72 h i.e., equilibrium time, the samples were taken out from the shaker and allowed to settle PPD particles for 24 h [16,22]. The supernatants from each saturated solution were withdrawn carefully, diluted and analyzed for PPD concentration by reported high performance liquid chromatography (HPLC) technique at the wavelength for maximum absorbance (λ max ) of 254 nm [17].…”

Section: Evaluation Of Ppd Solubility In Various Dmso + Water Systemsmentioning

confidence: 99%

“…The binary solvent system of methanol and acetic acid (99:1% v/v) was used as mobile phase for HPLC analysis of PPD. The x e values of PPD were obtained using its standard equations reported in the literature [21,22].…”

Section: Evaluation Of Ppd Solubility In Various Dmso + Water Systemsmentioning

confidence: 99%

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Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

et al. 2019

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The current research work was performed to evaluate the solubilization behavior, solution thermodynamics, and solvation behavior of poorly soluble pyridazinone derivative i.e., 6-phenyl-pyridazin-3(2H)-one (PPD) in various binary solvent systems of dimethyl sulfoxide (DMSO) and water using experimental and various computational approaches. The solubility of PPD in various binary solvent system of DMSO and water was investigated within the temperature range T = 298.2 K to 318.2 K at constant air pressure p = 0.1 MPa, by employing an isothermal technique. The generated solubility data of PPD was computationally represented by five different cosolvency models including van’t Hoff, Apelblat, Yalkowsky–Roseman, Jouyban–Acree, and Jouyban–Acree–van’t Hoff models. The performance of each computational model for correlation studies was illustrated using root mean square deviations (RMSD). The overall RMSD value was obtained <2.0% for each computational model. The maximum solubility of PPD in mole fraction was recorded in neat DMSO (4.67 × 10−1 at T = 318.2 K), whereas the lowest one was obtained in neat water (5.82 × 10−6 at T = 298.2 K). The experimental solubility of PPD in mole fraction in neat DMSO was much higher than its ideal solubility, indicating the potential of DMSO for solubility enhancement of PPD. The computed values of activity coefficients showed maximum molecular interaction in PPD-DMSO compared with PPD-water. Thermodynamic evaluation showed an endothermic and entropy-driven dissolution of PPD in all the mixtures of DMSO and water. Additionally, enthalpy–entropy compensation evaluation indicated an enthalpy-driven mechanism as a driven mechanism for the solvation property of PPD.

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Section: Thermodynamic Behavior Of Ppdmentioning

confidence: 92%

Section: Thermodynamic Behavior Of Ppdmentioning

confidence: 93%

Section: Thermodynamic Behavior Of Ppdmentioning

confidence: 99%

Section: Evaluation Of Ppd Solubility In Various Dmso + Water Systemsmentioning

confidence: 99%

Section: Evaluation Of Ppd Solubility In Various Dmso + Water Systemsmentioning

confidence: 99%

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Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

et al. 2019

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Solubility of a poorly soluble immunosuppressant in different pure solvents: Measurement, correlation, thermodynamics and molecular interactions

Kalam

Khan

Alshamsan

et al. 2018

Journal of Molecular Liquids

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Solubility and Thermodynamics of 6-Phenyl-4,5-dihydropyridazin-3(2H)-one in Various (PEG 400+Water) Mixtures

Imran

2018

Zeitschrift Für Physikalische Chemie

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The aim of this study was to determine the solubility of pyridazinone derivative 6-phenyl-4,5-dihydropyridazin-3(2H)-one (PDP-6) in different “polyethylene glycol 400 (PEG 400)+water” mixtures at temperatures “T=293.2 K to 313.2 K” and pressure “p=0.1 MPa”. The solubilities of PDP-6 were determined using an isothermal method and correlated with Apelblat, van’t Hoff and Yalkowsky–Roseman models. The maximum solubilities of PDP-6 in mole fraction were obtained in neat PEG 400 (8.46×10−2 at T=313.2 K). However, the minimum one was recorded in neat water (7.50×10−7 at T=293.2 K). Apparent thermodynamic analysis showed an endothermic dissolution of PDP-6 in all (PEG 400 water) mixtures. Based on the solubility data of the current study, PDP-6 has been considered as practically insoluble in water and soluble in PEG 400.

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Solubility and thermodynamics of 6-phenyl-4,5-dihydropyridazin-3(2H)-one in various neat solvents at different temperatures

Cited by 4 publications

References 37 publications

Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

Experimental and Computational Approaches for Solubility Measurement of Pyridazinone Derivative in Binary (DMSO + Water) Systems

Solubility of a poorly soluble immunosuppressant in different pure solvents: Measurement, correlation, thermodynamics and molecular interactions

Solubility and Thermodynamics of 6-Phenyl-4,5-dihydropyridazin-3(2H)-one in Various (PEG 400+Water) Mixtures

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