基团电负性与含氧有机物的标准生成热

GROUP ELECTRONEGATIVITY AND STANDARD RLEATS OF FORMATION OF ORGANIC COMPOUNDS CONTAINED OXYGEN

本文利用作者提出的基团电负性,建立了一个计算含氧有机物标准生成热的简单方法: △fH°(RZ)=△fH°(CH_3Z)-(0.48 n^(1/2)+17.18)x_G-20.13n+69.71式中,△fH°(RZ)和△fH°(CH_3Z)分别为含氧有机物RZ和CH_3Z的标准生成热;Z-OE_e、OM_e、OH、COCH_3、CHO、CO_2H、CO_2Me、CO_2Et.CONH_2;x_G为基团Z的电负性;n是直链烷基R中的碳原子个数,48个可比较值的平均偏差为0.3kCal/mol。

Using group electronegativity proposed by writer, the paper has bult up a formula for calculating the standard heats of formation of organic compounds contained oxygen by analysing the relation between △fH°(R-Z/CH_3-Z) and the electronegativity of group Z: △fH°(RZ)=△fH°(CH_3-Z)-(0.48√n+17.18)x_G-20.13n+69.71 Here, △fH°(RZ), △fH°(CH_3Z) are the standard heats of formation of RZ.CH_3Z (Z=OEt, OMe, OH, O CCH_3, CHO, CO_2H, CO_2 Me, CO_2 Et, CONH_2), respectivity; x_G is the group electronegativity of group, Z; n is the number of catbon in normal alkyl R. The average deviation for comparable 48 data is 1.25kJ/mol (0.3 kCal/mol).