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通过研究△△μ(CH_3/HX)与基团x的电负性X_G的内在关系,本文发现了经验方程:△△μ(CH_3X/HX)/P=6．05X_G-16．08这里,△△μ(CH_3/HY)=△μ(CH_3X)-△μ(HX);p为HX分子中氢原子的个数;X_G是作者前一工作的基团电负性．利用上式,我们估算了一些甲基衍生物CH_3X (X=F、 OH、NH_2.Cl. Br. SH 、CH_3 I、SIH_3、PH_2、SnH_3 、AsH_2、SeH)的标准生成热,其平均偏差为0．83Kcal/Mol．同时.导出了一个由△μ(HX)和X_G计算烷基衍生物生成热的方法:△_fH (RX)=△_fH (HX) + (6.05-3.58M~(1/m+0.99)xG-16.08p-1.125m~+2.16式中,m为烷基R结构参数,其它与前式相同。利用上式计算了22个烷基衍生物的生成热,其平均偏差为0.87kcal/mol.
Through the study of the inherent relationship between △△ μ (CH_3 / HX) and the electronegativity X_G of the group x, we found the empirical equation: △△ μ (CH_3X / HX) /P=6.05X_G-16.08 Here, △ △ μ (CH_3 / HY) = △ μ (CH_3X) - △ μ (HX); p is the number of hydrogen atoms in the HX molecule; X_G is the group electronegativity of the previous work. Using the above formula, we estimate the standard heat of formation for some methyl derivatives CH_3X (X = F, OH, NH_2.Cl.br. SH, CH_3I, SIH_3, PH_2, SnH_3, AsH_2, SeH) 0.83 Kcal / Mol. At the same time, a method for calculating the heat generation of alkyl derivatives by △ μ (HX) and X_G is derived: △ _fH (RX) = △ _fH (HX) + (6.05-3.58M ~ (1 / m + 0.99) 16.08p-1.125m ~ + 2.16 In the formula, m is the alkyl R structural parameter and the other is the same as the previous formula. The heat of formation of 22 alkyl derivatives was calculated by the above formula with an average deviation of 0.87 kcal / mol.