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dc.contributor.authorLiu, Xiangli
dc.contributor.authorAbraham, M.H.
dc.contributor.authorAcree, W.E.
dc.date.accessioned2021-03-15T14:19:00Z
dc.date.accessioned2021-03-23T10:12:02Z
dc.date.available2021-03-15T14:19:00Z
dc.date.available2021-03-23T10:12:02Z
dc.date.issued2021-05
dc.identifier.citationLiu X, Abraham MH and Acree WE (2021) Descriptors for vitamin K3 (menadione); calculation of biological and physicochemical properties. Journal of Molecular Liquids, 330: 115707.en_US
dc.identifier.urihttp://hdl.handle.net/10454/18407
dc.descriptionYesen_US
dc.description.abstractWe have used literature values for the solubility of vitamin K3 in organic solvents to obtain Abraham descriptorsfor vitamin K3. Although these descriptors themselves are not exceptional in any way, when combined withequations that we have already set out, they lead to the prediction of important properties of vitamin K3.These include the vapor pressure and heat of sublimation (necessary for the analysis of data on the concentrationof vitamin K3 in ambient air), and the partitions air-water, air-blood, air-lung, air-fat, air-skin, water-lipid, water-membrane, water-skin, as well as permeation from water through skin. Values of the partitions into biologicalphases are all quite large by comparison to those for organic compounds in general.en_US
dc.language.isoenen_US
dc.relation.isreferencedbyhttps://doi.org/10.1016/j.molliq.2021.115707en_US
dc.rights© 2021 Elsevier. Reproduced in accordance with the publisher's self-archiving policy. This manuscript version is made available under the CC-BY-NC-ND 4.0 license.en_US
dc.subjectVitamin K3en_US
dc.subjectMenadioneen_US
dc.subject2-methyl-1,4-naphthoquinoneen_US
dc.subjectAbraham descriptorsen_US
dc.subjectSolubilityen_US
dc.subjectLinear free energy relationshipsen_US
dc.subjectPartitionsen_US
dc.titleDescriptors for vitamin K3 (menadione): calculation of biological and physicochemical propertiesen_US
dc.status.refereedYesen_US
dc.date.Accepted2021-02-16
dc.date.application2021-02-20
dc.typeArticleen_US
dc.date.EndofEmbargo2022-02-20
dc.type.versionAccepted manuscripten_US
dc.description.publicnotesThe full-text of this article will be released for public view at the end of the publisher embargo on 20th Feb 2022.
dc.date.updated2021-03-15T14:19:01Z
refterms.dateFOA2021-03-23T10:12:31Z
dc.openaccess.statusGreenen_US


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