Solubility of solid intermediate of pharmaceutical compounds in pure organic solvents using semi-empirical models.


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
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

105209

Informations de copyright

Copyright © 2019 Elsevier B.V. All rights reserved.

Auteurs

Falamarz Akbari (F)

Department of Chemistry, Eram Institute of Higher Education, P. O. Box, 71957-46733, Shiraz, Iran. Electronic address: falamarzakbari@yahoo.com.

Khadijeh Didehban (K)

Department of Chemistry, Payame Noor University, P. O. Box, 19395-3697, Tehran, Iran.

Mona Farhang (M)

Department of Chemistry, Payame Noor University, P. O. Box, 19395-3697, Tehran, Iran.

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Classifications MeSH