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Enthalpy of solvation correlations for organic solutes and gases dissolved in dichloromethane and 1,4-dioxane

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dc.contributor.author Wilson A.
dc.contributor.author Tian A.
dc.contributor.author Dabadge N.
dc.contributor.author Acree W.
dc.contributor.author Varfolomeev M.
dc.contributor.author Rakipov I.
dc.contributor.author Arkhipova S.
dc.contributor.author Abraham M.
dc.date.accessioned 2018-09-18T20:13:27Z
dc.date.available 2018-09-18T20:13:27Z
dc.date.issued 2013
dc.identifier.issn 1040-0400
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/137715
dc.description.abstract Enthalpies of solution at infinite dilution of 53 organic solutes in dichloromethane and 10 organic solutes in 1,4-dioxane were measured using semi-adiabatic solution calorimeter. Enthalpies of solvation for 103 organic vapors and gaseous solutes in dichloromethane and for 116 gaseous compounds in 1,4-dioxane were determined from the experimental and literature data. It is shown that an Abraham solvation equation with five descriptors can be used to correlate the experimental solvation enthalpies within standard deviations of 2.07 and 2.29 kJ mol-1 for dichloromethane and 1,4-dioxane, respectively. The derived correlations provide very accurate mathematical descriptions of the measured enthalpy of solvation data at 298 K, which in the case of 1,4-dioxane span a range of 121 kJ mol-1. Division of the experimental values into a training set and a test set shows that there is no bias in predictions, and that the predictive capability of the correlations is better than 3.5 kJ mol-1. Enthalpies of hydrogen bond formation of proton donor solutes (alcohols, amines, chlorinated hydrocarbons, etc.) with 1,4-dioxane were calculated based on the Abraham solvation equation. Obtained values are in good agreement with the available literature data. © 2013 Springer Science+Business Media New York.
dc.relation.ispartofseries Structural Chemistry
dc.subject Enthalpy of hydrogen bond
dc.subject Enthalpy of solution
dc.subject Enthalpy of solvation
dc.subject Enthalpy of transfer
dc.subject Mathematical correlation
dc.subject Solvation parameter model
dc.title Enthalpy of solvation correlations for organic solutes and gases dissolved in dichloromethane and 1,4-dioxane
dc.type Article
dc.relation.ispartofseries-issue 6
dc.relation.ispartofseries-volume 24
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 1841
dc.source.id SCOPUS10400400-2013-24-6-SID84889096796


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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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