Quantitative Structure-Property Relationship: XXIV. Properties of Halo Derivatives of Methane, Silane, and Methylsilanes

Author: Golovanov I.   Zhenodarova S.  

Publisher: MAIK Nauka/Interperiodica

ISSN: 1070-3632

Source: Russian Journal of General Chemistry, Vol.75, Iss.12, 2005-12, pp. : 1899-1903

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Abstract

The previously suggested structure-property relationship was applied to estimating the properties of methane and silane derivatives C(Si)H e X m Y4−em in which substituents X and Y at the same central atom differently interact with each other. In these compounds, the two-fragment 1…3 interactions, multifragment interactions, and interactions corresponding to the electrostatic contribution to intermolecular interactions play a significant role. The boiling points were calculated for the F, Cl, and F,Cl derivatives of methane, silane, and methylsilanes; for the methane derivatives, the octanol-water partition coefficients (log P) systems and heat capacities at constant pressure (C p) were also calculated. The results obtained are well consistent with the experimental data.