Publication
Physico-chemical property prediction and environmental fate modelling of N-acylchalcogenourea derivatives
| dc.contributor.author | Schröder, Bernd | |
| dc.contributor.author | Martins, Mónia A.R. | |
| dc.contributor.author | Pinho, Simão | |
| dc.contributor.author | Coutinho, João A.P. | |
| dc.date.accessioned | 2014-09-19T14:59:32Z | |
| dc.date.available | 2014-09-19T14:59:32Z | |
| dc.date.issued | 2013 | |
| dc.description.abstract | (Subcooled) vapour pressures, aqueous solubilities, Henry constants, log KOW and log KOC partition constants have been estimated for a set of N-acyl-chalcogenourea derivatives using several prediction methods (COSMO-RS in its COSMOtherm implementation, SPARC as well as EPA’s EPIsuite). The data are discussed in terms of substituent effects: how do subtle changes in the chemical composition influence basic physico-chemical properties and hence, the environmental fate of the title compounds? | por |
| dc.identifier.citation | Schröder, B.; Martins, M.A.R.; Pinho, Simão; Coutinho, J.A.P. (2013). Physico-chemical property prediction and environmental fate modelling of N-acylchalcogenourea derivatives. In X Jornadas CICECO. Aveiro | por |
| dc.identifier.uri | http://hdl.handle.net/10198/10493 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.relation | PARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL | |
| dc.relation | VAPOR-LIQUID EQUILIBRIA AND NON-IDEALITY OF BIODEGRADABLE IONIC LIQUIDS | |
| dc.relation | Strategic Project - LA 11 - 2011-2012 | |
| dc.subject | Environmental fate | por |
| dc.subject | COSMO | por |
| dc.subject | SPARC | por |
| dc.subject | Properties | por |
| dc.title | Physico-chemical property prediction and environmental fate modelling of N-acylchalcogenourea derivatives | por |
| dc.type | conference object | |
| dspace.entity.type | Publication | |
| oaire.awardTitle | PARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL | |
| oaire.awardTitle | VAPOR-LIQUID EQUILIBRIA AND NON-IDEALITY OF BIODEGRADABLE IONIC LIQUIDS | |
| oaire.awardTitle | Strategic Project - LA 11 - 2011-2012 | |
| oaire.awardURI | info:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F87084%2F2012/PT | |
| oaire.awardURI | info:eu-repo/grantAgreement/FCT//SFRH%2FBPD%2F38637%2F2007/PT | |
| oaire.awardURI | info:eu-repo/grantAgreement/FCT/5876-PPCDTI/PTDC%2FAAC-AMB%2F121161%2F2010/PT | |
| oaire.awardURI | info:eu-repo/grantAgreement/FCT/6820 - DCRRNI ID/PEst-C%2FCTM%2FLA0011%2F2011/PT | |
| oaire.citation.conferencePlace | Aveiro | por |
| oaire.citation.endPage | P19 | por |
| oaire.citation.startPage | P19 | por |
| oaire.citation.title | X Jornadas CICECO | por |
| oaire.fundingStream | 5876-PPCDTI | |
| oaire.fundingStream | 6820 - DCRRNI ID | |
| person.familyName | Pinho | |
| person.givenName | Simão | |
| person.identifier | 810882 | |
| person.identifier.ciencia-id | 481D-73AD-8D0F | |
| person.identifier.orcid | 0000-0002-9211-857X | |
| person.identifier.rid | D-4148-2013 | |
| person.identifier.scopus-author-id | 7003570175 | |
| project.funder.identifier | http://doi.org/10.13039/501100001871 | |
| project.funder.identifier | http://doi.org/10.13039/501100001871 | |
| project.funder.identifier | http://doi.org/10.13039/501100001871 | |
| project.funder.identifier | http://doi.org/10.13039/501100001871 | |
| project.funder.name | Fundação para a Ciência e a Tecnologia | |
| project.funder.name | Fundação para a Ciência e a Tecnologia | |
| project.funder.name | Fundação para a Ciência e a Tecnologia | |
| project.funder.name | Fundação para a Ciência e a Tecnologia | |
| rcaap.rights | openAccess | por |
| rcaap.type | conferenceObject | por |
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