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dc.contributor.advisorYalkowsky, Samuel H.en
dc.contributor.authorAdmire, Brittany
dc.creatorAdmire, Brittanyen
dc.date.accessioned2015-05-28T22:52:36Zen
dc.date.available2015-05-28T22:52:36Zen
dc.date.issued2015en
dc.identifier.urihttp://hdl.handle.net/10150/556008en
dc.description.abstractThe UPPER (Unified Physicochemical Property Estimation Relationships) model uses additive and non-additive parameters to estimate 21 biologically and environmentally important physicochemical properties of organic compounds. Thermodynamically sound relationships are used to predict boiling and melting points, aqueous and octanol solubilities, vapor pressure and the air-octanol, air-water and octanol-water partition coefficients. These properties determine the distribution and fate of organic compounds in biological and environmental systems. The model has been validated on a data set of 2000 hydrocarbons and polyhalogenated hydrocarbons, provides a simple and accurate method to predict the properties studied.
dc.language.isoen_USen
dc.publisherThe University of Arizona.en
dc.rightsCopyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.en
dc.subjectEnvironmental Pollutantsen
dc.subjectMelting Pointen
dc.subjectPhysicochemical Propertiesen
dc.subjectSolubilityen
dc.subjectPharmaceutical Sciencesen
dc.subjectBiphenylsen
dc.titleThe Estimation of Biologically and Environmentally Relevant Properties of Organic Compoundsen_US
dc.typetexten
dc.typeElectronic Dissertationen
thesis.degree.grantorUniversity of Arizonaen
thesis.degree.leveldoctoralen
dc.contributor.committeememberYalkowsky, Samuel H.en
dc.contributor.committeememberMansour, Heidi M.en
dc.contributor.committeememberMayersohn, Michaelen
dc.contributor.committeememberMyrdal, Paul B.en
thesis.degree.disciplineGraduate Collegeen
thesis.degree.disciplinePharmaceutical Sciencesen
thesis.degree.namePh.D.en
refterms.dateFOA2018-08-18T08:20:09Z
html.description.abstractThe UPPER (Unified Physicochemical Property Estimation Relationships) model uses additive and non-additive parameters to estimate 21 biologically and environmentally important physicochemical properties of organic compounds. Thermodynamically sound relationships are used to predict boiling and melting points, aqueous and octanol solubilities, vapor pressure and the air-octanol, air-water and octanol-water partition coefficients. These properties determine the distribution and fate of organic compounds in biological and environmental systems. The model has been validated on a data set of 2000 hydrocarbons and polyhalogenated hydrocarbons, provides a simple and accurate method to predict the properties studied.


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