摘要
脂肪醇沸点(b.p.)变化规律可用下述关系式表示: ln(800.386-T_b)=6.64919-2.94828×10^(-2)N_(ECC)+0.150955△PEI式中N_(ECC)为醇中烷基的有效碳链长度,△PEI是具有相同碳原子数目的支链烷基与直链烷基的极化效应指数的差值,它表示羟基对醇的沸点的影响。
The boiling point (b. p.) change rule of fatty alcohols can be modelled and quantified by following QSPR equation In(800.386 - Tb) = 6.64919 - 2.94828 x 10-2NE + 0.150955APEI, Where the NE is the effective length of carbon chain of alkyl group in the alcohol molecule. The APEI is the polarizability effect index difference between the corresponding branched and normal alkyl isomers containing the same carbon atom number, which expressed the effect of hydroxyl group on the boiling point of alcohols.
出处
《有机化学》
SCIE
CAS
CSCD
北大核心
1998年第4期360-364,共5页
Chinese Journal of Organic Chemistry
基金
国家自然科学基金
国家教委基金
机械工业部基金
湖南省教委基金
关键词
醇
沸点
有效碳链长度
极化效应
QSPR
脂肪醇
alcohol, boiling point, effective length of carbon chain, polarizability effect index, QSPR study
