Solvability Measurement, Solvent Impact, Thermodynamic Modeling, and Special Solvation of Benzohydrazide in Aqueous Cosolvent Combinations of Some Alcohols
Adel Noubigh*, Hammadi Khmissi and Manef Abderrabba,
{"title":"Solvability Measurement, Solvent Impact, Thermodynamic Modeling, and Special Solvation of Benzohydrazide in Aqueous Cosolvent Combinations of Some Alcohols","authors":"Adel Noubigh*, Hammadi Khmissi and Manef Abderrabba, ","doi":"10.1021/acs.jced.5c0002710.1021/acs.jced.5c00027","DOIUrl":null,"url":null,"abstract":"<p >This work employed a gravimetric approach to determine the solid–liquid phase equilibrium of benzohydrazide (BH) in binary solvent systems (methanol + water, ethanol + water, propan-1-ol + water, and propan-2-ol + water) under 101.2 kPa between 283.15 and 323.15 K. The findings displayed that BH becomes more soluble at higher temperature and less soluble with increased mole fraction of water in the binary solvent mixtures. Concurrently, the impact of solvent on the mole fraction solubility of BH in solution was examined by utilizing the KAT model. The findings show that the capability of the solvent to form hydrogen bonds (α) and the cavity term, which reflects the molecular contact energy between solvent molecules, have the greatest influence on the solvent effect for BH. The experimental data were correlated utilizing the Jouyban–Acree, Jouyban–Acree-van’t Hoff, Apelblat–Jouyban–Acree, and Ma models. The low values for the average relative deviation (RAD %) (≤1.03, ≤1.99, ≤1.86, and ≤1.98, respectively) show that the experimental solubility data for BH in the four binary solvent mixes strongly align with the correlated data using the selected four models. Inverse Kirkwood–Buff integrals were utilized to compute the specific solvation parameters.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2103–2115 2103–2115"},"PeriodicalIF":2.0000,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00027","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
This work employed a gravimetric approach to determine the solid–liquid phase equilibrium of benzohydrazide (BH) in binary solvent systems (methanol + water, ethanol + water, propan-1-ol + water, and propan-2-ol + water) under 101.2 kPa between 283.15 and 323.15 K. The findings displayed that BH becomes more soluble at higher temperature and less soluble with increased mole fraction of water in the binary solvent mixtures. Concurrently, the impact of solvent on the mole fraction solubility of BH in solution was examined by utilizing the KAT model. The findings show that the capability of the solvent to form hydrogen bonds (α) and the cavity term, which reflects the molecular contact energy between solvent molecules, have the greatest influence on the solvent effect for BH. The experimental data were correlated utilizing the Jouyban–Acree, Jouyban–Acree-van’t Hoff, Apelblat–Jouyban–Acree, and Ma models. The low values for the average relative deviation (RAD %) (≤1.03, ≤1.99, ≤1.86, and ≤1.98, respectively) show that the experimental solubility data for BH in the four binary solvent mixes strongly align with the correlated data using the selected four models. Inverse Kirkwood–Buff integrals were utilized to compute the specific solvation parameters.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.