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Extended molecular connectivity: Prediction of boiling points of alkanes

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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.

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Authors and Affiliations

  1. Institute of Chemistry and Physics of Polymers, Uzbekistan Academy of Sciences, Tashkent State University, Uzbekistan

    A. A. Toropov, A. P. Toropova, T. T. Ismailov, N. L. Voropaeva & I. N. Ruban

Authors
  1. A. A. Toropov
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  2. A. P. Toropova
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  3. T. T. Ismailov
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  4. N. L. Voropaeva
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  5. I. N. Ruban
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Additional information

Translated fromZhurnal Strukturnoi Khimii, Vol. 38, No. 6, pp. 1154–1159, November–December, 1997.

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Toropov, A.A., Toropova, A.P., Ismailov, T.T. et al. Extended molecular connectivity: Prediction of boiling points of alkanes. J Struct Chem 38, 965–969 (1997). https://doi.org/10.1007/BF02763818

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  • DOI: https://doi.org/10.1007/BF02763818

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