The influence of heat capacity assumptions on the estimation of solubility parameters from solubility data
dc.contributor.author | Neau, Steven H. | en_US |
dc.contributor.author | Flynn, Gordon L. | en_US |
dc.contributor.author | Yalkowsky, Samuel H. | en_US |
dc.date.accessioned | 2006-04-07T20:54:04Z | |
dc.date.available | 2006-04-07T20:54:04Z | |
dc.date.issued | 1989-02-01 | en_US |
dc.identifier.citation | Neau, Steven H., Flynn, Gordon L., Yalkowsky, Samuel H. (1989/02/01)."The influence of heat capacity assumptions on the estimation of solubility parameters from solubility data." International Journal of Pharmaceutics 49(3): 223-229. <http://hdl.handle.net/2027.42/28068> | en_US |
dc.identifier.uri | http://www.sciencedirect.com/science/article/B6T7W-4772FDD-73/2/cabc885f9cafb5b256a4c1d0e972507d | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/28068 | |
dc.description.abstract | Regular solution theory indicates that solubility parameters of crystalline organic compounds can be estimated from solubilities in London solvents. The equation for this purpose is: where X2 is the mole fraction solubility of a compound in a solvent with a solubility parameter of [delta]1. With the exception of [Delta]Cp, all parameters in the equation necessary to estimate the solute parameter, [delta]2, can either be suitably approximated or readily determined experimentally. In order to use the equation, simplifying assumptions have been made concerning [Delta]Cp, namely: [Delta]Cp = 0 or [Delta]Cp = [Delta]Sf, the entropy of fusion. In the present work, we have considered the extent to which these assumptions influence the magnitude of solubility parameters estimated from solubilities in n-hexane, n-heptane, n-dodecane, cyclohexane, carbon tetrachloride, toluene and benzene. Using n-alkyl p-aminobenzoates as test compounds, it is shown that solubility-based solubility parameters are relatively insensitive to the form of the equation used to calculate [delta]2. Specifically, solubility parameter estimations based on the two simplifying assumptions differ by no more than 0.2 (cal/ml)1/2, an increment of the order of the presumed inherent error of estimation. | en_US |
dc.format.extent | 497493 bytes | |
dc.format.extent | 3118 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.language.iso | en_US | |
dc.publisher | Elsevier | en_US |
dc.title | The influence of heat capacity assumptions on the estimation of solubility parameters from solubility data | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Pharmacy and Pharmacology | en_US |
dc.subject.hlbtoplevel | Health Sciences | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | College of Pharmacy, University of Michigan, Ann Arbor, MI 48109-1065, U.S.A. | en_US |
dc.contributor.affiliationum | College of Pharmacy, University of Michigan, Ann Arbor, MI 48109-1065, U.S.A. | en_US |
dc.contributor.affiliationother | College of Pharmacy, the University of Arizona, Tucson, AZ 85721, U.S.A. | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/28068/1/0000511.pdf | en_US |
dc.identifier.doi | http://dx.doi.org/10.1016/0378-5173(89)90346-3 | en_US |
dc.identifier.source | International Journal of Pharmaceutics | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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