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

• 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
• Subjects: additive schemes; alkynes; the heat of vaporization; multiple non-bonded interactions; additive-group method
• 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

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.