Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and Butyl Acetate
Laine Longacre,Emily Wu,Chelsea Yang,M N Zhang,Sneha Sinha,Advika Varadharajan,William E. Acree +6 more
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In this article , the authors derived Abraham model expressions for solute transfer into the tert-butyl acetate mono-solvent and provided an accurate mathematical description of the observed experimental data.Abstract:
Experimental solubilities were determined for 31 solid nonelectrolyte organic compounds dissolved in tert-butyl acetate at 298.15 K. Results of the experimental measurements were combined with published mole fraction solubility data for two lipid-lowering medicinal compounds (lovastatin and simvastatin) in order to derive Abraham model expressions for solute transfer into the tert-butyl acetate mono-solvent. The derived correlations provided an accurate mathematical description of the observed experimental data. As part of the current study, previously published Abraham model solvent correlations for both ethyl acetate and butyl acetate were updated using much larger datasets that contained an additional 64 and 35 experimental data points, respectively. The mathematical correlations presented in the current study describe the observed solubility ratios of solutes dissolved in tert-butyl acetate, ethyl acetate, and butyl acetate to within an overall standard deviation of 0.15 log units or less.read more
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Determination of Abraham Model Solute Descriptors for N-Hydroxyphthalimide: An Organic Compound Having a N-Hydroxy (N–OH) Functional Group
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Determination of Abraham Model Solute Descriptors for 62 Additional C10 through C13 Methyl- and Ethyl-Branched Alkanes
Ramya Motati,William E. Acree +1 more
TL;DR: Abraham model descriptors were reported for the first time for 62 additional C10 through C13 methyl- and ethyl-branched alkanes in this paper , which can be used in conjunction with previously published Abraham model correlations to predict a wide range of important physico-chemical and biological properties.
Journal ArticleDOI
Calculation of Abraham model solute descriptors for 2-naphthoxyacetic acid
TL;DR: In this article , Mole fraction solubilities are reported for 2-naphthoxyacetic acid dissolved in three alkanol (3-methyl-1-butanol, 2-pentanol, 1-octanol), two alkyl alkanoate (tert-butyl acetate, methyl butyrate), three alkanone (butanone, 2 -pentanone and cyclopentanone) and six alkoxyalcohol (2-methoxyethanol), 2-ethoxy-ethanol,2-propoxy-ethylanol, two-butoxy-1, butanol, 3-methyltopropoxy-drugs, 2.
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Development of Abraham model correlations for dimethyl adipate from measured solubility data of nonelectrolyte organic compounds
TL;DR: In this paper , the authors derived predictive Abraham model correlations for adipic acid, glutaric acid and succinic acid and derived correlations back-calculate the observed solubility data to within ± 0.12 log units.
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Abraham Solvation Parameter Model: Revised Predictive Expressions for Solute Transfer into Polydimethylsiloxane Based on Much Larger and Chemically Diverse Datasets
TL;DR: In this article , Abraham model correlations are reported for the transfer of organic solutes and inorganic gases to a polydimethylsiloxane coating from both water and the gas phase based on published experimental data for more than 220 different compounds.
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