{"title":"在278.15 ~ 323.15 K范围内,13种单溶剂和二元溶剂中单唑唑的固液平衡溶解度及相关性","authors":"Zijie Zhang, , , Jiacheng Li, , , Kejia Wang, , , Jingjing Li, , , Funeng Xu, , , Hualin Fu, , , Huaqiao Tang, , , Gang Shu, , , Juchun Lin, , , Xiaoyang Ai, , , Haohuan Li, , , Ling Zhao, , , Xianxiang Wang, , and , Wei Zhang*, ","doi":"10.1021/acs.jced.5c00358","DOIUrl":null,"url":null,"abstract":"<p >Uniconazole (UCZ) is an important plant growth regulator, and its solubility has not been comprehensively studied. In this study, the static method was employed to determine the solubility of UCZ in 13 monosolvents (ethylene glycol, n-propanol, isopropanol, 1,2-propanediol, iso-butanol, n-butanol, n-octanol, methyl acetate, ethyl acetate, butyl acetate, n-propyl acetate, isobutyl acetate, and water) and n-propanol-water binary mixtures at <i>T</i> = (278.15 to 328.15) K and <i>P</i> = 0.1 MPa. Experiments have shown that the solubility of UCZ in the selected solvent system exhibits a positive temperature correlation, and it significantly increases with the n-propanol mole fraction in binary systems. The solubility in 13 monosolvents was correlated using Apelblat, Van’t Hoff, Jouyban, and NRTL equations, and solubility data in binary solvents were correlated using Apelblat, GCM, and Van’t-JA equations. The oriented root-mean-square deviation (ORMSD) values for all models remain below 0.22%, indicating a good fitting effect. X-ray diffraction (XRD) showed no crystal transition in UCZ during dissolution. The dissolution behavior was analyzed using Hansen solubility parameters (HSPs). The KAT-LSER model showed that the solvent–solvent interaction affects the solubility of UCZ more than the solute–solvent interaction.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 10","pages":"4240–4254"},"PeriodicalIF":2.1000,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solid–Liquid Equilibrium Solubility and Correlation of Uniconazole in 13 Monosolvents and Binary Solvents from 278.15 to 323.15 K\",\"authors\":\"Zijie Zhang, , , Jiacheng Li, , , Kejia Wang, , , Jingjing Li, , , Funeng Xu, , , Hualin Fu, , , Huaqiao Tang, , , Gang Shu, , , Juchun Lin, , , Xiaoyang Ai, , , Haohuan Li, , , Ling Zhao, , , Xianxiang Wang, , and , Wei Zhang*, \",\"doi\":\"10.1021/acs.jced.5c00358\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Uniconazole (UCZ) is an important plant growth regulator, and its solubility has not been comprehensively studied. In this study, the static method was employed to determine the solubility of UCZ in 13 monosolvents (ethylene glycol, n-propanol, isopropanol, 1,2-propanediol, iso-butanol, n-butanol, n-octanol, methyl acetate, ethyl acetate, butyl acetate, n-propyl acetate, isobutyl acetate, and water) and n-propanol-water binary mixtures at <i>T</i> = (278.15 to 328.15) K and <i>P</i> = 0.1 MPa. Experiments have shown that the solubility of UCZ in the selected solvent system exhibits a positive temperature correlation, and it significantly increases with the n-propanol mole fraction in binary systems. The solubility in 13 monosolvents was correlated using Apelblat, Van’t Hoff, Jouyban, and NRTL equations, and solubility data in binary solvents were correlated using Apelblat, GCM, and Van’t-JA equations. The oriented root-mean-square deviation (ORMSD) values for all models remain below 0.22%, indicating a good fitting effect. X-ray diffraction (XRD) showed no crystal transition in UCZ during dissolution. The dissolution behavior was analyzed using Hansen solubility parameters (HSPs). The KAT-LSER model showed that the solvent–solvent interaction affects the solubility of UCZ more than the solute–solvent interaction.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 10\",\"pages\":\"4240–4254\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-09-23\",\"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.5c00358\",\"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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00358","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}
Solid–Liquid Equilibrium Solubility and Correlation of Uniconazole in 13 Monosolvents and Binary Solvents from 278.15 to 323.15 K
Uniconazole (UCZ) is an important plant growth regulator, and its solubility has not been comprehensively studied. In this study, the static method was employed to determine the solubility of UCZ in 13 monosolvents (ethylene glycol, n-propanol, isopropanol, 1,2-propanediol, iso-butanol, n-butanol, n-octanol, methyl acetate, ethyl acetate, butyl acetate, n-propyl acetate, isobutyl acetate, and water) and n-propanol-water binary mixtures at T = (278.15 to 328.15) K and P = 0.1 MPa. Experiments have shown that the solubility of UCZ in the selected solvent system exhibits a positive temperature correlation, and it significantly increases with the n-propanol mole fraction in binary systems. The solubility in 13 monosolvents was correlated using Apelblat, Van’t Hoff, Jouyban, and NRTL equations, and solubility data in binary solvents were correlated using Apelblat, GCM, and Van’t-JA equations. The oriented root-mean-square deviation (ORMSD) values for all models remain below 0.22%, indicating a good fitting effect. X-ray diffraction (XRD) showed no crystal transition in UCZ during dissolution. The dissolution behavior was analyzed using Hansen solubility parameters (HSPs). The KAT-LSER model showed that the solvent–solvent interaction affects the solubility of UCZ more than the solute–solvent interaction.
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.