JFAS_Vol 05 N 02

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Browsing JFAS_Vol 05 N 02 by Author "Korichi, M."

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    A Qspr Study Of Normal Boiling Point Of Organic Compounds (aliphatic Alkanes) Using Molecular Descriptors
    (University of Eloued جامعة الوادي, 2013-07-01) Souyei, B.; Korichi, M.
    A quantitative structure–property relationship (QSPR) study is carried out to develop correlations that relate the molecular structures of organic compounds (Aliphatic Alkanes) to their normal boiling point (NBP) and two correlations were proposed for constitutionals and connectivity indices Models. The correlations are simple in application with good accuracy, which provide an easy, direct and relatively accurate way to calculate NBP. Such calculation gives us a model that gives results in remarkable correlations with the descriptors of blokes constitutionals (CON), and connectivity indices (CI) (R2 = 0.950, δ = 0.766) (R2 = 0.969, δ = 0.782) respectively.