{"title":"百菌清在10种纯溶剂和1种二元溶剂中溶解度的测定及其相关性","authors":"Cheng Tan, Genghao Zhu, Zhiying Pan, Maoying Tian, Xiangjie Li, Shichao Du*, Tingting Gao* and Fumin Xue*, ","doi":"10.1021/acs.jced.4c0071810.1021/acs.jced.4c00718","DOIUrl":null,"url":null,"abstract":"<p >Chlorothalonil is a kind of high efficiency, low toxicity, and broad-spectrum fungicide pesticide, which is widely used in the prevention and control of plant fungal diseases. In this work, the solubility of chlorothalonil in 10 pure solvents and one binary solvent was determined by the gravimetric method at temperatures from 288.15 to 323.15 K. Ten experimental pure solvents were 1,4-dioxane, <i>N</i>,<i>N</i>-dimethylacetamide, acetone, cyclohexanone, acetonitrile, <i>N</i>,<i>N</i>-dimethylformamide, methyl isobutyl ketone, ethyl acetate, <i>n</i>-propyl acetate, and tetrahydrofuran. The selected binary solvent mixtures were <i>N</i>,<i>N</i>-dimethylacetamide and ethyl acetate in different proportions. The obtained data show that the solubility of chlorothalonil in the above solvents increases with the increase in temperature, and the solubility also increases with the increase in the <i>N</i>,<i>N</i>-dimethylacetamide ratio in the binary solvent. Furthermore, the experimental solubility data is well correlated by using the modified Apelblat model, Van’t Hoff model, modified Jouyban–Acree model, and Yaws model. The modified Apelblat model shows the best correlation with the solubility of chlorothalonil. In addition, the KAT-LSER model is used to investigate the influence of the solvent effect on the solubility, indicating that the solubility of chlorothalonil is negatively correlated with the polarity of the solvent.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1520–1526 1520–1526"},"PeriodicalIF":2.0000,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Determination and Correlation of Solubility of Chlorothalonil in 10 Pure Solvents and One Binary Solvent at 288.15–323.15 K\",\"authors\":\"Cheng Tan, Genghao Zhu, Zhiying Pan, Maoying Tian, Xiangjie Li, Shichao Du*, Tingting Gao* and Fumin Xue*, \",\"doi\":\"10.1021/acs.jced.4c0071810.1021/acs.jced.4c00718\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Chlorothalonil is a kind of high efficiency, low toxicity, and broad-spectrum fungicide pesticide, which is widely used in the prevention and control of plant fungal diseases. In this work, the solubility of chlorothalonil in 10 pure solvents and one binary solvent was determined by the gravimetric method at temperatures from 288.15 to 323.15 K. Ten experimental pure solvents were 1,4-dioxane, <i>N</i>,<i>N</i>-dimethylacetamide, acetone, cyclohexanone, acetonitrile, <i>N</i>,<i>N</i>-dimethylformamide, methyl isobutyl ketone, ethyl acetate, <i>n</i>-propyl acetate, and tetrahydrofuran. The selected binary solvent mixtures were <i>N</i>,<i>N</i>-dimethylacetamide and ethyl acetate in different proportions. The obtained data show that the solubility of chlorothalonil in the above solvents increases with the increase in temperature, and the solubility also increases with the increase in the <i>N</i>,<i>N</i>-dimethylacetamide ratio in the binary solvent. Furthermore, the experimental solubility data is well correlated by using the modified Apelblat model, Van’t Hoff model, modified Jouyban–Acree model, and Yaws model. The modified Apelblat model shows the best correlation with the solubility of chlorothalonil. In addition, the KAT-LSER model is used to investigate the influence of the solvent effect on the solubility, indicating that the solubility of chlorothalonil is negatively correlated with the polarity of the solvent.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 3\",\"pages\":\"1520–1526 1520–1526\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-02-20\",\"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.4c00718\",\"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.4c00718","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}
Determination and Correlation of Solubility of Chlorothalonil in 10 Pure Solvents and One Binary Solvent at 288.15–323.15 K
Chlorothalonil is a kind of high efficiency, low toxicity, and broad-spectrum fungicide pesticide, which is widely used in the prevention and control of plant fungal diseases. In this work, the solubility of chlorothalonil in 10 pure solvents and one binary solvent was determined by the gravimetric method at temperatures from 288.15 to 323.15 K. Ten experimental pure solvents were 1,4-dioxane, N,N-dimethylacetamide, acetone, cyclohexanone, acetonitrile, N,N-dimethylformamide, methyl isobutyl ketone, ethyl acetate, n-propyl acetate, and tetrahydrofuran. The selected binary solvent mixtures were N,N-dimethylacetamide and ethyl acetate in different proportions. The obtained data show that the solubility of chlorothalonil in the above solvents increases with the increase in temperature, and the solubility also increases with the increase in the N,N-dimethylacetamide ratio in the binary solvent. Furthermore, the experimental solubility data is well correlated by using the modified Apelblat model, Van’t Hoff model, modified Jouyban–Acree model, and Yaws model. The modified Apelblat model shows the best correlation with the solubility of chlorothalonil. In addition, the KAT-LSER model is used to investigate the influence of the solvent effect on the solubility, indicating that the solubility of chlorothalonil is negatively correlated with the polarity of the solvent.
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.
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