根据分子结构的特点,用距离矩阵表征分子中基团的连续性,用染色因子标识基团性质的差异通过对芳烃的密度与分子结构进行关联,发展一种直接根据分子结构信息计算有机化合物芳烃密度的方法。对烷基苯、烷基萘和烷基联苯的计算结果表明,密度的计算值接近实验值,平均误差0.456％。 According to the characteristics of the molecular structure, the distance matrix is ​​used to characterize the continuity of the groups in the molecule, and the differences in the properties of the groups are identified by the staining factors. By correlating the density of aromatic hydrocarbons with the molecular structure, an aromatics- Method of density. The calculated results for alkylbenzenes, alkylnaphthalenes and alkylbiphenyls show that the calculated density is close to the experimental value with an average error of 0.456%.