Solubility determination and modelling of benzamide in organic solvents at temperatures from 283.15 K and 323.15 K, and ternary phase diagrams of benzamide-benzoic acid cocrystals in ethanol at 298.15 K
File(s)Revised Manuscript-2019-4-18 - clean.doc (5.12 MB)
Accepted version
Author(s)
Type
Journal Article
Abstract
In this paper, several common solvents including butyl acetate, methyl acetate, ethyl acetate, acetonitrile, 1-butanol, isobutanol, isopropanol, ethanol, 1-propanol, methanol, acetone, and water, were selected as solubility solvents for benzamide. The solubility of benzamide in all solvents increases with the increase of temperature from 283.15 K to 323.15 K, and generally depends on solvents in the following order: methanol > acetone > ethanol > 1-propanol > 1-butanol > isopropanol > isobutanol > methyl acetate > ethyl acetate > butyl acetate > acetonitrile > water. Solubility data in all solvents were well correlated with the temperature by using the NRTL, Wilson and modified Apelblat models. Furthermore, the dissolution thermodynamic properties, which include dissolution Gibbs energy, dissolution entropy and dissolution enthalpy, were also calculated. Based on the above results, ethanol was chosen as the solvent for preparing benzamide cocrystal with benzoic acid. The ternary phase diagram of benzamide-benzoic acid cocrystals in ethanol was constructed, and one stable cocrystal with a stoichiometry of 1:1 was determined and characterized.
Date Issued
2019-07-15
Date Acceptance
2019-05-01
Citation
Journal of Molecular Liquids, 2019, 286
ISSN
0167-7322
Publisher
Elsevier
Journal / Book Title
Journal of Molecular Liquids
Volume
286
Copyright Statement
© 2019 Elsevier B.V. All rights reserved. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000474308400010&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Benzamide
Benzoic acid
Chemistry
Chemistry, Physical
Cocrystal
EQUILIBRIUM
LIQUID
Physical Sciences
Physics
Physics, Atomic, Molecular & Chemical
Science & Technology
Solubility
THERMODYNAMIC PROPERTIES
TRANSFORMATION
WATER
Publication Status
Published
Article Number
ARTN 110885
Date Publish Online
2019-05-03