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Diffusion coefficients in ethanol and in water at 298 K: Linear free energy relationships
Authors:Elizabeth E. HillsAuthor Vitae  Michael H. AbrahamAuthor VitaeAnne HerseyAuthor Vitae  Chris D. BevanAuthor Vitae
Affiliation:a Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ, UK
b GlaxoSmithKline, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, UK
Abstract:
Keywords:k, rate constant for absorption   BCS, Biopharmaceutics Classification Scheme   D12, the diffusion coefficient of solute 1 in solvent 2   VW, Van der Waals volumes   av   log   Poct, an average of log   Poct values (calculated with C   log   P)   PSA, the polar surface area (Å  2)   E, the solute excess molar refractivity in units of (cm3 mol&minus  1)/10   S, the solute dipolarity/polarizability   A, overall or summation hydrogen bond acidity   B, overall or summation hydrogen bond basicity   V, the McGowan volume in units of (cm3   mol&minus  1)/100   SP, solute property   log   k (ARK), absorption rate constants in humans   HIA, human intestinal absorption
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