直链伯醇结构与熔点关系的拓扑化学研究

用拓扑方法探讨了直链伯醇的熔点与分子结构的关系，提出一个结构基础明确的定关系式。对甲醇到１－三十四烷醇的计算结果表明，计算值与实验值的一致性令人满意。应用这一定量关系，不仅能够合理表征直链全醇的结构性能关系，而且有助有助于揭示物质结构与性能关系这间的奥秘。．

Studies on theRelationshipBetWeenMelting Points of Normal PrimaryAlcohol and Its Molecular Structure by Using thetopology Chemistry

An approach based on the molecular topology was used to study the relation-ship between melting points o f normal primary alcohols and its molecular structure for thefirst time in this paper,and aquantitative relation was developed which can be used to pre-dict the melting points and to characterize the structure-property relationship of normal pri-mary alcohols. The results calculated showed that the predicted melting points agreed withthe experimental melting points satisfactorily,and the mean relative deviation was only0. 298%for 28 kinds of normal primary alcohols.Not only can the quantitative relation pre-dict the melting points of normal primary alcohols but can help to discover the secret amongthe structure-property relationship.