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Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents

Description: This article calculates Abraham model solute descriptors for 5-nitro-8-hydroxyquinoline, 2-methyl-6-nitroaniline, and terephthaldialdehyde using experimental solubility data taken from papers published in The Journal of Chemical Thermodynamics in 2016.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
open access

Crystal structure of (3E,5E)-3,5-bis­[4-(di­ethyl­aza­nium­yl)benzyl­idene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material

Description: Article provides a detailed description of the crystal structure of (3E,5E)-3,5-bis­­[4-(di­ethyl­aza­nium­yl)benzyl­­idene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate
Date: November 21, 2015
Creator: Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N. & Shulaev, Vladimir
open access

A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K

Description: Article discussing a group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K.
Date: June 21, 2013
Creator: Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Acree, William E. (William Eugene); Mohammadi, Amir H. & Ramjugernath, Deresh
open access

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution

Description: This paper presents the application of a commonly used computer algorithm based on the group-additivity method for the calculation of the liquid viscosity coefficient at 293.15 K and the activity coefficient at infinite dilution in water at 298.15 K or organic molecules.
Date: December 21, 2017
Creator: Naef, Rudolf & Acree, William E. (William Eugene)
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