气相色谱法预测环境温度下有机化合物的蒸气压

根据189个包含不同结构基团的有机化合物在极性相差较大的2种气相色谱柱上的保留指数,以多元回归分析,分别建立了有机化合物保留指数与环境温度下蒸气压(P)的单柱和双柱预测模型。根据各模型的相关系数(r)及概率值(p),定量说明了不同模型的统计重要性。结果表明,有机化合物环境温度下的蒸气压与气相色谱保留指数之间具有较高的相关性,双柱蒸气压预测模型具有更好的预测精度(1nP标准偏差为1．3)和更好的统计学意义(r=0．9354,p=7．7×10~70))。。

Determination of the vapor pressure of organic compounds at ambient temperature by gas chromatography

By using multiple regression method, the correlation relationship between the vapor pressure of 189 organic compounds with diverse structural groups at ambient temperature and the retention indices on column with different polarity were studied. The statistical meanings of the studied models are described by the correlation coefficients (r) and probability values (p). It is shown that the vapor pressure of organic compounds is highly correlated with their retention indices. The model based on retention indices on two columns with different polarity is better than that based on retention indices on column with single polarity, and standard deviation of InP based on the two-column model is 1. 3 with r =0. 9354 and p =7. 7 x 10~70 , which means it is better and more statistical meaning than that of the one-column model.