直链单炔烃保留指数与分子结构关系研究

Study on Relation of Retention Indices of n-Alkynes and Their Molecular Stmcture

根据同系直链单炔烃保留指数与同碳数正构烷烃保留指数差值与分子碳数间关系曲线拟合，提出预测同系直链单炔烃保留指数的较准确公式。研究并发现同碳数直链单炔烃各异构体分子中三键位置与化合物保留指数具有指数关系，首次提出了据分子中三键位置预测其保留指数的较准确公式。解决了从低碳数直链单炔烃保留指数预测高碳数直链单炔烃保留指数问题。

When differences in retention indices of the homologous series of n-alkynes and those of n-alkanes with the same carbon number were plotted with the carbon number in the molecule, it can be seen that the curve is nearly an exponential ones. So a formula to predict the retention indices of homologous series of n-alkynes has ben proposed. When the retention indices of n-alkynes were plotted with the positions of the triple bond in the molecule, it can be seen that the curve is also approximately an exponential ones. Therefore, an exact formula to predict the retention indices of the n-alkynes has been.put forward. The problem of predicting the retention indices of n-alkynes of higher carbon number from those of lower carbonnumber was solved.