{"title":"更新亚伯拉罕模型的相关性描述溶质转移到2-戊醇和3-甲基-1-丁醇基于更大的数据集","authors":"Trisha Kandi, Ramya Motati, Saikiran Motati, Nikita Shanmugam, Amy Zhou, Emily Yao, Catherine Webber, W. Acree","doi":"10.1080/00319104.2023.2235709","DOIUrl":null,"url":null,"abstract":"ABSTRACT Mole fraction solubilities of 4-tert-butylbenzoic acid, 3-chlorobenzoic acid, 2-methyl-3-nitrobenzoic acid, 3-methyl-4-nitrobenzoic acid, 3,4,5-trimethoxybenzoic acid, isophthalic acid, 3-hydroxybenzoic acid, o-acetoacetaniside, 2,4-dihydroxybenzophenone, benzoin, paracetamol, and 1,4-dichloro-2-nitrobenzene in 2-pentanol at 298.15 K. Results of the experimental measurements, combined with published literature data, were used to calculated revised equation coefficients for the Abraham model correlations for the 2-pentanol solvent. Revised equation coefficients are also reported for the 3-methyl-1-butanol Abraham model correlations based on much larger data sets containing 95 experimental data points.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2023-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Updated Abraham model correlations for describing solute transfer into both 2-Pentanol and 3-Methyl-1-butanol based on much larger data sets\",\"authors\":\"Trisha Kandi, Ramya Motati, Saikiran Motati, Nikita Shanmugam, Amy Zhou, Emily Yao, Catherine Webber, W. Acree\",\"doi\":\"10.1080/00319104.2023.2235709\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"ABSTRACT Mole fraction solubilities of 4-tert-butylbenzoic acid, 3-chlorobenzoic acid, 2-methyl-3-nitrobenzoic acid, 3-methyl-4-nitrobenzoic acid, 3,4,5-trimethoxybenzoic acid, isophthalic acid, 3-hydroxybenzoic acid, o-acetoacetaniside, 2,4-dihydroxybenzophenone, benzoin, paracetamol, and 1,4-dichloro-2-nitrobenzene in 2-pentanol at 298.15 K. Results of the experimental measurements, combined with published literature data, were used to calculated revised equation coefficients for the Abraham model correlations for the 2-pentanol solvent. Revised equation coefficients are also reported for the 3-methyl-1-butanol Abraham model correlations based on much larger data sets containing 95 experimental data points.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2023-07-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1080/00319104.2023.2235709\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/00319104.2023.2235709","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Updated Abraham model correlations for describing solute transfer into both 2-Pentanol and 3-Methyl-1-butanol based on much larger data sets
ABSTRACT Mole fraction solubilities of 4-tert-butylbenzoic acid, 3-chlorobenzoic acid, 2-methyl-3-nitrobenzoic acid, 3-methyl-4-nitrobenzoic acid, 3,4,5-trimethoxybenzoic acid, isophthalic acid, 3-hydroxybenzoic acid, o-acetoacetaniside, 2,4-dihydroxybenzophenone, benzoin, paracetamol, and 1,4-dichloro-2-nitrobenzene in 2-pentanol at 298.15 K. Results of the experimental measurements, combined with published literature data, were used to calculated revised equation coefficients for the Abraham model correlations for the 2-pentanol solvent. Revised equation coefficients are also reported for the 3-methyl-1-butanol Abraham model correlations based on much larger data sets containing 95 experimental data points.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.