{"title":"273.15 ~ 318.15 K下9种单溶剂和4种混合溶剂中2-肼基-4-甲基苯并噻唑的溶解度测定和模拟","authors":"Pengjun Yao*, Farao Zhang and Yang Yu, ","doi":"10.1021/acs.jced.4c0050610.1021/acs.jced.4c00506","DOIUrl":null,"url":null,"abstract":"<p >In this paper, the mole fraction solubility of 2-hydrazino-4-methylbenzothiazole (MHB) in acetone, toluene, methanol, ethanol, water, ethyl acetate, <i>n</i>-propanol, isopropanol, 1-butanol, and methanol/ethanol/<i>n</i>-propanol/acetone + water was determined by the isothermal saturation method at 273.15 to 318.15 K under 101.2 kPa. Meanwhile, high-performance liquid chromatography was used to detect the solubility of MHB. The mole fraction of MHB increased with the increase of temperature in monosolvents, and the composition of solvent mixtures also played a decisive role in the solubility of MHB in mixed systems. Then, four models for five monosolvents (Apelblat, van’t Hoff, λh, NRTL, and the Jouyban model) and three models for mixed solvents [Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) model] were utilized to correlate the mole fraction of MHB. The maximum deviations [relative average deviation (RAD) and root-mean-square deviation (RMSD)] between the experimental data and the solubility data calculated by the models for monosolvents were 7.13% and 6.11 × 10<sup>–4</sup> (from the Jouyban model in pure ethyl acetate), respectively. The maximum RAD and RMSD for mixed systems were 1.58% (from the A–J–A model in methanol + water) and 1.35 × 10<sup>–4</sup> (from the J–A and A–J–A models in acetone + water), respectively.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"588–599 588–599"},"PeriodicalIF":2.0000,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Study on 2-Hydrazino-4-methylbenzothiazole in Nine Monosolvents and Four Mixed Solvents at 273.15 to 318.15 K: Solubility Determination and Modeling\",\"authors\":\"Pengjun Yao*, Farao Zhang and Yang Yu, \",\"doi\":\"10.1021/acs.jced.4c0050610.1021/acs.jced.4c00506\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >In this paper, the mole fraction solubility of 2-hydrazino-4-methylbenzothiazole (MHB) in acetone, toluene, methanol, ethanol, water, ethyl acetate, <i>n</i>-propanol, isopropanol, 1-butanol, and methanol/ethanol/<i>n</i>-propanol/acetone + water was determined by the isothermal saturation method at 273.15 to 318.15 K under 101.2 kPa. Meanwhile, high-performance liquid chromatography was used to detect the solubility of MHB. The mole fraction of MHB increased with the increase of temperature in monosolvents, and the composition of solvent mixtures also played a decisive role in the solubility of MHB in mixed systems. Then, four models for five monosolvents (Apelblat, van’t Hoff, λh, NRTL, and the Jouyban model) and three models for mixed solvents [Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) model] were utilized to correlate the mole fraction of MHB. The maximum deviations [relative average deviation (RAD) and root-mean-square deviation (RMSD)] between the experimental data and the solubility data calculated by the models for monosolvents were 7.13% and 6.11 × 10<sup>–4</sup> (from the Jouyban model in pure ethyl acetate), respectively. The maximum RAD and RMSD for mixed systems were 1.58% (from the A–J–A model in methanol + water) and 1.35 × 10<sup>–4</sup> (from the J–A and A–J–A models in acetone + water), respectively.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 1\",\"pages\":\"588–599 588–599\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2024-12-16\",\"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.4c00506\",\"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.4c00506","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}
Study on 2-Hydrazino-4-methylbenzothiazole in Nine Monosolvents and Four Mixed Solvents at 273.15 to 318.15 K: Solubility Determination and Modeling
In this paper, the mole fraction solubility of 2-hydrazino-4-methylbenzothiazole (MHB) in acetone, toluene, methanol, ethanol, water, ethyl acetate, n-propanol, isopropanol, 1-butanol, and methanol/ethanol/n-propanol/acetone + water was determined by the isothermal saturation method at 273.15 to 318.15 K under 101.2 kPa. Meanwhile, high-performance liquid chromatography was used to detect the solubility of MHB. The mole fraction of MHB increased with the increase of temperature in monosolvents, and the composition of solvent mixtures also played a decisive role in the solubility of MHB in mixed systems. Then, four models for five monosolvents (Apelblat, van’t Hoff, λh, NRTL, and the Jouyban model) and three models for mixed solvents [Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) model] were utilized to correlate the mole fraction of MHB. The maximum deviations [relative average deviation (RAD) and root-mean-square deviation (RMSD)] between the experimental data and the solubility data calculated by the models for monosolvents were 7.13% and 6.11 × 10–4 (from the Jouyban model in pure ethyl acetate), respectively. The maximum RAD and RMSD for mixed systems were 1.58% (from the A–J–A model in methanol + water) and 1.35 × 10–4 (from the J–A and A–J–A models in acetone + water), respectively.
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.