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基于取代苯和取代苯甲酸衍生物的标准生成焓受取代基的初级效应、次级效应及取代基之间的障碍点等因素影响.用已知的氟苯、氯苯和甲基苯甲酸衍生物的气相标准生成焓,通过回归方法建立了估算模型.计算值与文献值吻合良好.并用该模型对氯代苯甲酸的标准生成焓进行了预测.
The standard enthalpy of formation based on the substituted and substituted benzoic acid derivatives is affected by the primary, secondary, and substitutive barriers of the substituents, etc. Known fluorobenzene, chlorobenzene and methylbenzoic acid The standard enthalpy of formation of gas phase was established and the regression model was used to establish the estimation model. The calculated values are in good agreement with the literature values. The standard enthalpy of formation of chlorobenzoic acid was predicted by the model.