Solubility of solid intermediate of pharmaceutical compounds in pure organic solvents using semi-empirical models.
Intermediate
Pharmaceutical
Semi-empirical model
Solid
Solubility
Journal
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
ISSN: 1879-0720
Titre abrégé: Eur J Pharm Sci
Pays: Netherlands
ID NLM: 9317982
Informations de publication
Date de publication:
15 Feb 2020
15 Feb 2020
Historique:
received:
07
10
2019
revised:
07
12
2019
accepted:
22
12
2019
pubmed:
28
12
2019
medline:
18
11
2020
entrez:
28
12
2019
Statut:
ppublish
Résumé
A new semi-theoretical equation is suggested for correlation of solid-liquid solubility data with temperature. The (solid + liquid) equilibrium for Terephthaldialdehyde, 4-Nitro-o-phennylenediamine, 2,4-dihydro- 5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one (also named 1-(p-tolyl)-3-methyl-5pyrazolone (PTMP)), 2-Amino-5-methylthiazole and 5-chloro-1-methyl-4-nitroimidazole in 18 solvents is correlated with semi-empirical models at temperatures T = 273.15-318.15 K under a pressure of 101.2 kPa. Moreover, a modified Apelblat model, λh model, Wilson model, NRTL model, new flexible equation as Akbari, Dideban and Farhang model (ADF) and for first time the modified Scatchard-Hildebrand equation were utilized to calculate the experiment values. The performance of both ADF and modified Scatchard-Hildebrand equation have been checked by calculating the solubility data with the AARD% of 1.3808% (for 775 data points) and 0.65% (for 100 data points), respectively. The Wilson model is applied to estimate the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient (ln γ
Identifiants
pubmed: 31881270
pii: S0928-0987(19)30482-8
doi: 10.1016/j.ejps.2019.105209
pii:
doi:
Substances chimiques
2-amino-5-methylthiazole
0
Aldehydes
0
Nitroimidazoles
0
Phenylenediamines
0
Pyrazoles
0
Solvents
0
Thiazoles
0
pyrazole
3QD5KJZ7ZJ
1,2-diamino-4-nitrobenzene
5A9AX7Y0TT
1-methyl-5-chloro-4-nitroimidazole
P917JW98BD
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
105209Informations de copyright
Copyright © 2019 Elsevier B.V. All rights reserved.