{"title":"Investigating the Interactions of Ethyl Butanoate with 2-Alkanols through Molecular Modeling and Experimental Techniques","authors":"Mohammad Almasi, and , Ariel Hernández*, ","doi":"10.1021/acs.jced.5c0004810.1021/acs.jced.5c00048","DOIUrl":null,"url":null,"abstract":"<p >This manuscript provides experimental data about the viscosity and density of ethyl butanoate mixed with 2-alkanols (from 2-propanol to 2-hexanol) at 0.1 MPa and temperatures from 293.15 to 323.15 K. The Redlich–Kister model accurately described the experimental results for the derived properties, including excess molar volume and viscosity deviation. The results reveal weak attractive interactions and an expansion effect in the mixtures. Additionally, the perturbed chain-statistical associating fluid theory reliably predicted the density of the mixtures, while Eyring’s theory effectively modeled their viscosity behavior.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2035–2043 2035–2043"},"PeriodicalIF":2.0000,"publicationDate":"2025-04-21","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.5c00048","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
This manuscript provides experimental data about the viscosity and density of ethyl butanoate mixed with 2-alkanols (from 2-propanol to 2-hexanol) at 0.1 MPa and temperatures from 293.15 to 323.15 K. The Redlich–Kister model accurately described the experimental results for the derived properties, including excess molar volume and viscosity deviation. The results reveal weak attractive interactions and an expansion effect in the mixtures. Additionally, the perturbed chain-statistical associating fluid theory reliably predicted the density of the mixtures, while Eyring’s theory effectively modeled their viscosity behavior.
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.