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Terpenes solubility in water and their environmental distribution

dc.contributor.authorMartins, Mónia A.R.
dc.contributor.authorSilva, Liliana P.
dc.contributor.authorFerreira, Olga
dc.contributor.authorSchröder, Bernd
dc.contributor.authorCoutinho, João A.P.
dc.contributor.authorPinho, Simão
dc.date.accessioned2018-01-31T10:00:00Z
dc.date.accessioned2018-01-31T15:40:25Z
dc.date.available2018-01-31T10:00:00Z
dc.date.available2018-01-31T15:40:25Z
dc.date.issued2017
dc.description.abstractTerpenes and terpenoids belong to the largest and most diverse class of natural products. Due to the increasing importance of their applications and the emerging perception of their impact on the environment, the available physico-chemical characterization is insufficient. In this work the water solubility of geraniol, linalool, DL-citronellol, thymol, eugenol, carvacrol and p-cymene, in the temperature range from (298.15 to 323.15) K, and at atmospheric pressure, is studied. Due to the low solubility of these compounds a novel technique was adopted for their measurements and validated using the aqueous solubility data for sparingly soluble aromatic compounds. The thermodynamic properties of solution were derived from the experimental data at infinite dilution. It is shown that the solubility of terpenes in water is an endothermic process confirming the existence of UCST phase diagrams, and only for carvacrol and eugenol is entropically driven. The experimental information is shown in a two-dimensional chemical space diagram providing indications to their probable distribution in the environment once released.en_EN
dc.description.sponsorshipThisworkwas developed in the scope of the project CICECO - Aveiro Institute ofMaterials, POCI-01-0145-FEDER-007679, and Associate Laboratory LSRE-LCM, POCI-01-0145-FEDER-006984, both funded by FEDER under the PT2020 Partnership Agreement - Programa Operacional Competitividade e Internacionalização (POCI) - and by national funds through FCT - Fundação para a Ciência e a Tecnologia. M.A.R.M acknowledges FCT for her PhD grant (SFRH/BD/87084/2012).
dc.description.versioninfo:eu-repo/semantics/publishedVersionen_EN
dc.identifier.citationMartins, M.A.R.; Silva, Liliana P.; Ferreira, Olga; Schröder, Bernd; Coutinho, João A.P.; Pinho, Simão (2017). Terpenes solubility in water and their environmental distribution. Journal of Molecular Liquids. ISSN 0167-7322. 241, p. 996-1002en_EN
dc.identifier.doi10.1016/j.molliq.2017.06.099en_EN
dc.identifier.issn0167-7322
dc.identifier.urihttp://hdl.handle.net/10198/15351
dc.language.isoeng
dc.peerreviewedyesen_EN
dc.relationPARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL
dc.subjectEnvironmental distributionen_EN
dc.subjectSolubilityen_EN
dc.subjectTerpenesen_EN
dc.subjectThermodynamic functionsen_EN
dc.subjectWateren_EN
dc.titleTerpenes solubility in water and their environmental distributionen_EN
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitlePARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F87084%2F2012/PT
person.familyNameFerreira
person.familyNamePinho
person.givenNameOlga
person.givenNameSimão
person.identifier810882
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.orcid0000-0001-8414-3479
person.identifier.orcid0000-0002-9211-857X
person.identifier.ridM-4567-2013
person.identifier.ridD-4148-2013
person.identifier.scopus-author-id57203083219
person.identifier.scopus-author-id7003570175
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccessen_EN
rcaap.typearticleen_EN
relation.isAuthorOfPublication59e0c608-0c21-4191-af5e-529d21970399
relation.isAuthorOfPublication8ef7789a-34f3-4915-a666-4efe26272a30
relation.isAuthorOfPublication.latestForDiscovery8ef7789a-34f3-4915-a666-4efe26272a30
relation.isProjectOfPublicationf1a51da3-f684-400d-a0a6-e4a989a7b697
relation.isProjectOfPublication.latestForDiscoveryf1a51da3-f684-400d-a0a6-e4a989a7b697

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