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

摘要

The previously suggested structure-property relationship was applied to estimating the properties of methane and silane derivatives C(Si)H_eX_mY_(4_e_m) 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,C1 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.