分子极化效应指数与脂肪族醛酮的沸点  

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

作　　者：张秀利[1] 汪勇先[1] 林英武[1] 李俊玲[1] 

机构地区：[1]中国科学院上海原子核研究所,上海201800

出　　处：《化学研究与应用》2003年第6期803-804,共2页Chemical Research and Application

摘　　要：Based on the molecular polarizability effect index,a formula of three parameters was proposed to calculate the boiling point of aliphatic aldehydes and alkanones.ln（820.5-Tb）=6.38330-1.37357×10-1Nc+5.39350ΔEPI+8.02603×10-2NWhere the Nc is the effective length of carbon chain of alkyl group in the aliphatic aldehydes and alkanones.The ΔPEI is the polarizability effect index difference between the corresponding branched and normal alkyl isomer containing the same carbon atom number,which expressed the effcet of carbonyl group on the boiling point of ali-phatic aldehydes and alkanones.N is the carbon numbers of aliphatic aldehydes and alkanones.Based on the molecular polarizability effect index,a formula of three parameters was proposed to calculate the boiling point of aliphatic aldehydes and alkanones.ln(820.5-T_b)=6.38330-1.37357×10^(-1)N_c+5.39350ΔEPI+8.02603×10^(-2)NWhere the Nc is the effective length of carbon chain of alkyl group in the aliphatic aldehydes and alkanones.The ΔPEI is the polarizability effect index difference between the corresponding branched and normal alkyl isomer containing the same carbon atom number,which expressed the effcet of carbonyl group on the boiling point of ali-phatic aldehydes and alkanones.N is the carbon numbers of aliphatic aldehydes and alkanones.

关 键 词：分子极化效应指数 脂肪族醛酮 沸点 定量结构-活性相关性 分子结构参数 

分 类 号：O623.5[理学—有机化学] O621.13[理学—化学]