Equilibrium solubility of 6-methylcoumarin in some (ethanol plus water) mixtures: determination, correlation, thermodynamics and preferential solvation

dc.authorid0000-0002-1177-7419
dc.authorid0000-0002-4008-7273
dc.authorid0000-0002-4670-2783
dc.authorid0000-0002-1635-1628
dc.authorid0000-0002-9892-5284
dc.authorid0000-0001-8887-6653
dc.contributor.authorAkay, Sema
dc.contributor.authorKayan, Berkant
dc.contributor.authorCoşkun, Savaş
dc.contributor.authorJouyban, Abolghasem
dc.contributor.authorMartinez, Fleming
dc.contributor.authorAcree, William E.
dc.date.accessioned2022-03-01T05:04:29Z
dc.date.available2022-03-01T05:04:29Z
dc.date.issued2022
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractThe solubility of 6-methylcoumarin in water, ethanol and nine aqueous ethanol mixtures was determined from 293.15 to 323.15 K. 6-Methylcoumarin solubility expressed in mole fraction was correlated with some well-known correlation/prediction models. Gibbs energy, enthalpy and entropy, for dissolution and mixing processes, were computed using van't Hoff and Gibbs equations. The plot of enthalpy vs. Gibbs energy of dissolution exhibited negative slopes from water to w(1) = 0.20 and from w(1) = 0.90 to ethanol but positive slopes in the interval 0.20 w(1) w(1) = 0.20 is entropy-driven that could be attributed to water molecules releasing originally bounded as 'icebergs' around the drug-non-polar groups. In mixtures of 0.20 w(1) < 0.90, enthalpy-driving mechanism for drug transfer from more-polar to less-polar systems is observed, probably owing to better solvation by ethanol. Inverse Kirkwood-Buff integrals show that 6-methylcoumarin is preferentially solvated by water in water-rich mixtures but preferentially solvated by ethanol in 0.24 x(1) < 1.00.
dc.identifier.doi10.1080/00319104.2022.2037135
dc.identifier.endpage-en_US
dc.identifier.issue-en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage-en_US
dc.identifier.urihttps:/dx.doi.org/10.1080/00319104.2022.2037135
dc.identifier.urihttps://hdl.handle.net/20.500.12451/9249
dc.identifier.volume-en_US
dc.identifier.wosWOS:000753765000001
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis
dc.relation.ispartofPhysics and Chemistry of Liquids
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subject6-methylcoumarin
dc.subject(ethanol plus water) Mixtures
dc.subjectSolubility
dc.subjectSolution Thermodynamics
dc.subjectJouyban-Acree Model
dc.subjectPreferential Solvation
dc.titleEquilibrium solubility of 6-methylcoumarin in some (ethanol plus water) mixtures: determination, correlation, thermodynamics and preferential solvation
dc.typeArticle

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