1—氟代正烷烃结构与凝聚型性能关系的探讨

Studies on the Relationship Between Cohesive Property of Normal 1- Fluoroalkane and Its Molecular Structure

用拓扑方法探讨了1—氟代正烷烃的凝聚型性能与其分子结构之间的关系,提出一个普遍适用于1—氟代正烷烃凝聚型性能的定量关系式。对沸点、密度和折光指数的计算结果表明,计算值与实验值有很好的一致性。应用这一定量关系,不仅能够合理表征1—氟代正烷烃的结构性能关系,而且有助于揭示物质结构与性能关系之间的奥秘。

An approach based on the topology is used study the relationship beween cohesive property of normal 1-fluoroalkane and its molerular structure, and a quantitative relation is developed which can be used to characterize the structure -property relationship and to predict the cohesive properies such as boiling points, densities and refractive indexes of normal 1- fluoroalkanes. The results calculated show that the predicted values of boiling points, densities and refractive indexes agree with the experimental data very well. Not only can the quantitative relation predict the cohesive properties of normal 1 -fluoroalkanes but can help to discover the secret among the structure - property relationship.