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有机化学
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有机化学 ›› 2002, Vol. 22 ›› Issue (11): 897-901. 上一篇    下一篇

研究论文

分子诱导效应指数与脂肪族醛酮的沸点

张秀利;汪勇先;李俊玲;林英武   

  1. 中国科学院上海原子核研究所.上海(201800)
  • 发布日期:2002-11-25

Molecular inductive effect index and boiling point of aliphatic aldehydes and alkanones

Zhang Xiuli;Wang Yongxian;Li Junling;Lin Yingwu   

  1. Shanghai Institute of Nuclear Research, Chinese Academy of Sciences.Shanghai(201800)
  • Published:2002-11-25

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463

被引次数

19 | 3

利用分子诱导效应指数，建立了三参数方法计算脂肪族醛酮沸点的关系式： ln(820．5—Tb)＝6．38327—1．23961×10^-1Nc+1．95353△I+6．68434×10^- 2N，式中Nc为脂肪族醛酮中烷基部分的有效碳链长度；△I为具有相同碳原子数目 的支链烷基与直链烷基的诱导效应指数的差值，它表示羟基对醛酮沸点的影响；N 为碳原子数．

关键词: 分子, 诱导效应, 指数, 沸点, 脂肪族醛, 脂肪族酮, 活性

Based on the molecular inductive effect index, a formula consisting of three parameters was proposed to calculate the boiling point of aliphatic aldehydes and alkanones. ln (820.5 - T_b) = 6.38327 - 1. 23961 * 10~(-1)N_c + 1.95353ΔI + 6.68434 * 10~(-2)N, where the N_c is the effective length of carbon chain of alkyl group in the aliphatic aldehydes and alkanones. The ΔI is the inductive effect index difference between the corresponding branched and normal alkyl isomer containing the same carbon atom number, which expresses the effect of carbonyl group on the boiling point of aliphatic aldehydes and alkanones. N is the numbers of carbon atoms of aliphatic aldehydes and alkanones.

Key words: MOLECULAR;INDUCTIVE EFFECT;EXPONENT;BOILING POINTS, ALIPHATIC ALDEHYDES;ALIPHATIC KETONES;ACTIVITY

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