Extended molecular connectivity: Prediction of boiling points of alkanes |
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| Authors: | A A Toropov A P Toropova T T Ismailov N L Voropaeva I N Ruban |
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| Institution: | (1) Institute of Chemistry and Physics of Polymers, Uzbekistan Academy of Sciences, Tashkent State University, Uzbekistan |
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| Abstract: | It is shown that extended molecular connectivity may be used for “structure-property” studies. The statistical parameters
of the correlation relations of boiling points with extended molecular connectivity indices found for a sample of alkanes
(n = 74) are the following: the best two-parameter correlation r = 0.9948, s = 4.7; the best three-parameter correlation r
= 0.9971, s = 3.5.
Translated fromZhurnal Strukturnoi Khimii, Vol. 38, No. 6, pp. 1154–1159, November–December, 1997. |
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