Persistent Link:
http://hdl.handle.net/10150/291667
Title:
Predicting the solubility of hydrogen bonding aromatics
Author:
Miller, Allan Harvey, 1968-
Issue Date:
1993
Publisher:
The University of Arizona.
Rights:
Copyright © 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.
Abstract:
The AQUAFAC (Aqueous Functional Group Activity Coefficients) method for predicting aqueous activity coefficients proposed by Myrdal et al. (1992) is expanded to include for hydrogen bonding groups: hydroxy, carboxy, nitro and amino. Activity coefficients can be used to estimate aqueous solubility. Using aqueous solubility data, from a number of sources, for a set of subsituted aromatic compounds, group or q values are derived. Group values have been generated for a number of substituents, none have included hydrogen bonding groups (Myrdal et al., 1992,1993). Q values are related to activity coefficients through the following relationship: log gammaw = Sigmaniqi where log gammaw is the log of the activity coefficient, qi is the group value subtituent i and ni is the group frequency. Ortho effects between hydrogen bonding groups is also examined. Intramoleculat hydrogen bonding involving carboxy substituted compounds, in this research, does appear to affect aqueous solubility.
Type:
text; Thesis-Reproduction (electronic)
Keywords:
Chemistry, Pharmaceutical.; Health Sciences, Pharmacy.
Degree Name:
M.S.
Degree Level:
masters
Degree Program:
Graduate College; Pharmaceutical Sciences
Degree Grantor:
University of Arizona
Advisor:
Yalkowsky, Samuel H.

Full metadata record

DC FieldValue Language
dc.language.isoen_USen_US
dc.titlePredicting the solubility of hydrogen bonding aromaticsen_US
dc.creatorMiller, Allan Harvey, 1968-en_US
dc.contributor.authorMiller, Allan Harvey, 1968-en_US
dc.date.issued1993en_US
dc.publisherThe University of Arizona.en_US
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_US
dc.description.abstractThe AQUAFAC (Aqueous Functional Group Activity Coefficients) method for predicting aqueous activity coefficients proposed by Myrdal et al. (1992) is expanded to include for hydrogen bonding groups: hydroxy, carboxy, nitro and amino. Activity coefficients can be used to estimate aqueous solubility. Using aqueous solubility data, from a number of sources, for a set of subsituted aromatic compounds, group or q values are derived. Group values have been generated for a number of substituents, none have included hydrogen bonding groups (Myrdal et al., 1992,1993). Q values are related to activity coefficients through the following relationship: log gammaw = Sigmaniqi where log gammaw is the log of the activity coefficient, qi is the group value subtituent i and ni is the group frequency. Ortho effects between hydrogen bonding groups is also examined. Intramoleculat hydrogen bonding involving carboxy substituted compounds, in this research, does appear to affect aqueous solubility.en_US
dc.typetexten_US
dc.typeThesis-Reproduction (electronic)en_US
dc.subjectChemistry, Pharmaceutical.en_US
dc.subjectHealth Sciences, Pharmacy.en_US
thesis.degree.nameM.S.en_US
thesis.degree.levelmastersen_US
thesis.degree.disciplineGraduate Collegeen_US
thesis.degree.disciplinePharmaceutical Sciencesen_US
thesis.degree.grantorUniversity of Arizonaen_US
dc.contributor.advisorYalkowsky, Samuel H.en_US
dc.identifier.proquest1356808en_US
dc.identifier.bibrecord.b314649449en_US
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