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Experimental and theoretical thermodynamic properties of RS-(±)- and S-(+)-mandelic acids

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dc.contributor.author Emel'yanenko V.
dc.contributor.author Turovtsev V.
dc.contributor.author Fedina Y.
dc.date.accessioned 2019-01-22T20:34:55Z
dc.date.available 2019-01-22T20:34:55Z
dc.date.issued 2018
dc.identifier.issn 0040-6031
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/147807
dc.description.abstract © 2018 Elsevier B.V. The enthalpies of formation of RS-(±)- and S-(+)-mandelic acids were measured using high-precision combustion calorimetry. Vapor pressures of the acids were measured using the transpiration method. The enthalpies of sublimation of these compounds at 298.15 K were derived from vapor pressure temperature dependencies. Molar enthalpies of the solid state phase transitions were measured by the DSC. Thermodynamic data on mandelic acids available from the published sources were collected and combined with our experimental results. Thermochemical properties of studied compounds were evaluated and tested for internal and external consistency with different approaches. The methods of quantum chemistry and statistical physics were used to calculate thermodynamic functions of compounds in the ideal gas state in temperature range 298.15 K–1500 K.
dc.relation.ispartofseries Thermochimica Acta
dc.subject Ab initio calculations
dc.subject Combustion calorimetry
dc.subject Enantiomers
dc.subject Enthalpy of formation
dc.subject Enthalpy of fusion
dc.subject Mandelic acid
dc.subject Racemic form
dc.subject Thermodynamic properties
dc.subject Transpiration method
dc.subject Vapor pressure measurements
dc.title Experimental and theoretical thermodynamic properties of RS-(±)- and S-(+)-mandelic acids
dc.type Article
dc.relation.ispartofseries-volume 665
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 37
dc.source.id SCOPUS00406031-2018-665-SID85047247434


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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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