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Thermochemistry of di-substituted benzenes: Ortho-, meta-, and para-hydroxyacetophenones

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dc.contributor.author Andreeva I.V.
dc.contributor.author Varfolomeev M.A.
dc.contributor.author Verevkin S.P.
dc.date.accessioned 2021-02-24T20:32:45Z
dc.date.available 2021-02-24T20:32:45Z
dc.date.issued 2020
dc.identifier.issn 0021-9614
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/160810
dc.description.abstract © 2019 Elsevier Ltd Standard molar enthalpy of vapourisation of 2′-hydroxyacetophenone and standard molar enthalpies of sublimation of 3′-hydroxyacetophenone and 4′-hydroxyacetophenone were obtained from the temperature dependence of vapour pressure measured by the transpiration method. Enthalpy of fusion of 3′-hydroxyacetophenone was measured by using DSC. Available from literature primary experimental results on temperature dependences of vapour pressures have been collected and they have been treated uniformly in order to derive vapourisation/sublimation enthalpies at the reference temperature 298.15 K. The available data were successfully checked for internal correlation. Gas phase molar enthalpies of formation of hydroxyacetophenones calculated by the high-level quantum-chemical methods G3MP2 and G4 were in good agreement with the experimental results. A set of thermodynamic properties of hydroxyacetophenones was recommended as reliable reference properties for thermochemical calculations. Simple group-additivity procedures were developed for estimation of vaporisation enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes.
dc.relation.ispartofseries Journal of Chemical Thermodynamics
dc.subject Enthalpies of phase transitions
dc.subject Enthalpy of formation
dc.subject Group-additivity
dc.subject Hydroxyacetophenones
dc.subject Quantum-chemical calculations
dc.title Thermochemistry of di-substituted benzenes: Ortho-, meta-, and para-hydroxyacetophenones
dc.type Article
dc.relation.ispartofseries-volume 140
dc.collection Публикации сотрудников КФУ
dc.source.id SCOPUS00219614-2020-140-SID85070667557

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  • Публикации сотрудников КФУ Scopus [22633]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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