酯肪醛折光指数与分子结构间定量关系的探讨

Quantitative Study on the Relation Between Refractive Index and Molecular Structure of Aliphatic Aldehydes

用图论方法探讨了脂肪酸折光指数与分子结构的关系，提出一个既能表征脂肪酸结构性能关系又能预测折光指数的定量关系式。结果表明，脂肪酸折光指数计算值与实验值的一致性令人满意，平均误差０．１０２％．

An approach based on the graph theory was used to study the relationship between refractive index and molecular structure of aliphatic aldehyde,and a quantitative relation was developed which can he used to characterize the structure-property relationship and to predict the refractive indexes of aliphatic aldehydes. The calculated results showed that the predicted values of refractive indexes agreed with the experimental data satisfactorily, and the mean relative deviation was 0. 102%. Not only can the quantitative relation developed in this paper predict the refractive indexes but can help to discover the secret among the structure-property relationship.