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http://hdl.handle.net/2445/184953
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DC Field | Value | Language |
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dc.contributor.author | Abraham, Michael H. | - |
dc.contributor.author | Acree Jr, William E. | - |
dc.contributor.author | Pérez Ràfols, Clara | - |
dc.contributor.author | Rosés Pascual, Martí | - |
dc.date.accessioned | 2022-04-13T17:13:09Z | - |
dc.date.available | 2022-04-13T17:13:09Z | - |
dc.date.issued | 2021-04-01 | - |
dc.identifier.issn | 0095-9782 | - |
dc.identifier.uri | http://hdl.handle.net/2445/184953 | - |
dc.description.abstract | We use literature data on solubilities of 46 compounds in the water-isopropanol (IPA) system to obtain the corresponding partition coefficients, P, for transfer from water to water- IPA mixtures. We have then used our previously constructed linear free energy equation to obtain equations that correlate log10 P at water-IPA intervals across the entire water-IPA system. These equations can then be used to predict partition coefficients and solubilities of further compounds in the water-IPA systems at 298 K. The coefficients in our linear free energy equation encode information on the physicochemical properties of the water- IPA mixtures. We show that the hydrogen bond basicity of the water-IPA mixtures only increases slightly from water to IPA, but that the hydrogen bond acidity of the mixtures decreases markedly from water to IPA in a smooth continuous manner. We have also used data on ions and on ionic species to set out equations for the estimation of their partition coefficients from water to water-IPA mixtures. We find that for partition from water to IPA itself, log10 P = − 1.81 for H+. | - |
dc.format.extent | 15 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Springer Verlag | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1007/s10953-021-01063-w | - |
dc.relation.ispartof | Journal of Solution Chemistry, 2021, vol. 50, num. 4, p. 458-472 | - |
dc.relation.uri | https://doi.org/10.1007/s10953-021-01063-w | - |
dc.rights | (c) Springer Verlag, 2021 | - |
dc.source | Articles publicats en revistes (Enginyeria Química i Química Analítica) | - |
dc.subject.classification | Solubilitat | - |
dc.subject.classification | Alcohols | - |
dc.subject.classification | Ionització | - |
dc.subject.other | Solubility | - |
dc.subject.other | Alcohols | - |
dc.subject.other | Ionization | - |
dc.title | Equations for the Correlation and Prediction of Partition Coefcients of Neutral Molecules and Ionic Species in the Water-Isopropanol Solvent System | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 718130 | - |
dc.date.updated | 2022-04-13T17:13:10Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Institut de Biomedicina (IBUB)) Articles publicats en revistes (Enginyeria Química i Química Analítica) |
Files in This Item:
File | Description | Size | Format | |
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718130.pdf | 405.09 kB | Adobe PDF | View/Open |
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