Qi Zhao, Yongpeng Mou, Shichao Du, Ran He, Miaoxin Wang and Fumin Xue*,
{"title":"Equilibrium Solubility, Thermodynamic Correlation, and Solvent Effects of Metamifop Form A in Pure Solvents and Binary Mixture Solvents","authors":"Qi Zhao, Yongpeng Mou, Shichao Du, Ran He, Miaoxin Wang and Fumin Xue*, ","doi":"10.1021/acs.jced.4c0053310.1021/acs.jced.4c00533","DOIUrl":null,"url":null,"abstract":"<p >The solubility of Metamifop Form A was determined gravimetrically in nine pure solvents (including two antisolvents) and three binary mixture solvents in the temperature ranges of 278.15–303.15 and 278.15–313.15 K, respectively. A good correlation was established between the experimentally measured solubility data and data correlation models (including the λ<i>h</i> model, modified Apelblat model, Yaws model, and Apelblat–Jouyban–Acree model). The KAT-LSER model was used to fit the experimental data of Metamifop Form A in pure solvents at room temperature to analyze the solvent effect. Finally, Hirshfeld surface analysis (HS) and molecular electrostatic potential surfaces (MEPS) were employed to visualize intermolecular interactions and the charge distribution of Metamifop Form A.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1449–1458 1449–1458"},"PeriodicalIF":2.0000,"publicationDate":"2025-02-24","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.4c00533","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
The solubility of Metamifop Form A was determined gravimetrically in nine pure solvents (including two antisolvents) and three binary mixture solvents in the temperature ranges of 278.15–303.15 and 278.15–313.15 K, respectively. A good correlation was established between the experimentally measured solubility data and data correlation models (including the λh model, modified Apelblat model, Yaws model, and Apelblat–Jouyban–Acree model). The KAT-LSER model was used to fit the experimental data of Metamifop Form A in pure solvents at room temperature to analyze the solvent effect. Finally, Hirshfeld surface analysis (HS) and molecular electrostatic potential surfaces (MEPS) were employed to visualize intermolecular interactions and the charge distribution of Metamifop Form A.
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.