QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »

For series alkynes CnH2n-2 based on group additive method (which based on the first environment of atoms), one obtained 8-constant additive scheme of calculation of their physical and chemical properties. It is shown that within the accepted classification of structural elements in the molecules of...

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Main Authors: V.V. Grebeshkov, V.M. Smolyakov
Format: Article
Language:Russian
Published: Tver State University 2013-11-01
Series:Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
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Online Access:http://physchemaspects.ru/archives/2013/%D0%A4%D0%A5-2013%20%D0%93%D1%80%D0%B5%D0%B1%D0%B5%D1%88%D0%BA%D0%BE%D0%B2%20%D0%92%D0%92.pdf
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author V.V. Grebeshkov
V.M. Smolyakov
author_facet V.V. Grebeshkov
V.M. Smolyakov
author_sort V.V. Grebeshkov
collection DOAJ
description For series alkynes CnH2n-2 based on group additive method (which based on the first environment of atoms), one obtained 8-constant additive scheme of calculation of their physical and chemical properties. It is shown that within the accepted classification of structural elements in the molecules of alkynes demonstrate a linear relationship. According to the obtained formula, numerical calculations of the heats of vaporization at normal boiling point Hvap of alkynes C2H2-C9H16 not studied experimentally were carried out.
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spelling doaj.art-07a6f915215647ab93960a148f0b83fc2022-12-21T18:53:56ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602013-11-0156772QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »V.V. Grebeshkov0V.M. Smolyakov1Tver State UniversityTver State UniversityFor series alkynes CnH2n-2 based on group additive method (which based on the first environment of atoms), one obtained 8-constant additive scheme of calculation of their physical and chemical properties. It is shown that within the accepted classification of structural elements in the molecules of alkynes demonstrate a linear relationship. According to the obtained formula, numerical calculations of the heats of vaporization at normal boiling point Hvap of alkynes C2H2-C9H16 not studied experimentally were carried out.http://physchemaspects.ru/archives/2013/%D0%A4%D0%A5-2013%20%D0%93%D1%80%D0%B5%D0%B1%D0%B5%D1%88%D0%BA%D0%BE%D0%B2%20%D0%92%D0%92.pdfadditive schemesalkynesthe heat of vaporizationmultiple non-bonded interactionsadditive-group method
spellingShingle V.V. Grebeshkov
V.M. Smolyakov
QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
additive schemes
alkynes
the heat of vaporization
multiple non-bonded interactions
additive-group method
title QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »
title_full QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »
title_fullStr QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »
title_full_unstemmed QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »
title_short QUANTITATIVE CORRELATION «STRUCTURE OF ALKYNES C2H2-C9H16 – THE HEAT OF VAPORIZATION »
title_sort quantitative correlation structure of alkynes c2h2 c9h16 the heat of vaporization
topic additive schemes
alkynes
the heat of vaporization
multiple non-bonded interactions
additive-group method
url http://physchemaspects.ru/archives/2013/%D0%A4%D0%A5-2013%20%D0%93%D1%80%D0%B5%D0%B1%D0%B5%D1%88%D0%BA%D0%BE%D0%B2%20%D0%92%D0%92.pdf
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AT vmsmolyakov quantitativecorrelationstructureofalkynesc2h2c9h16theheatofvaporization