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通过分析基团电负性与ΔΔ_fH~0(RG/CH_3G)之间的关系,提出了一个计算碳氢化合物标准生成热的简单方法: Δ_fH~0(RG)=Δ_fH~0(CH_3G)+(1.18n~(1/2)-0.98)X_G-21.31n+19.90式中,Δ_f(RG)和Δ_fH~0(CH_3G)为烃(RG和CH_3G)的标准生成热;X_0为基团G的电负性;G=Me,i-Pr,t-Bu,CH=CH_2,CH=CHMe(E,Z),C≡CH和Ph;n为直链烷基R中的碳原子个数,34个可比较值的平均偏差为1.05kJ/mol。
By analyzing the relationship between the group electronegativity and ΔΔ_fH ~ 0 (RG / CH_3G), a simple method for calculating the standard heat of formation of hydrocarbons is proposed: Δ_fH ~ 0 (RG) = Δ_fH ~ 0 (CH_3G) + 1.18n ~ (1/2) -0.98) X_G-21.31n + 19.90 where Δ_f (RG) and Δ_fH ~ 0 (CH_3G) are standard heat of formation for hydrocarbons (RG and CH_3G) Negative; G = Me, i-Pr, t-Bu, CH = CH_2, CH = CHMe (E, Z), C≡CH and Ph; n is the number of carbon atoms in the linear alkyl group R, The average deviation of comparable values was 1.05 kJ / mol.