The average energy of an atomic outer-shell electrons and the atomic structural radius were proposed in this paper. A novel topological index B was defined based the adjacency matrix, and a multi-order indices were put forward. The definitions not only adjacent atomic interaction but also in-adjacent atomic interaction are taken into account. Thermodynamic properties of the compounds of CH mX n, SiH mX n(X=F,Cl,Br,I,m+n=1-4) and alkyl halides ...