In order to investigate the physicochemical properties of polybrominated diphenyl ethers

a topological distance feature location index (T) was proposed based on the characteristic value of molecules vertex atoms (group) (δi) and calculated by a new method. A series of quantum chemical parameters was obtained by the Gaussian 03 program and molecular electronegativity distance vector (Mt) was obtained by the program in literature. Three quantitative structure-retention/property relationship (QSRR/QSPR) models between relational descriptors and chromatographic retention time

octanol/air distribution coefficient (lgKOA)

and super cold fluid steam pressure at 298 K (lgPL) of PBDEs were set up by best subsets regression method. The correlation coefficients (R) were 0.9953

0.9983 and 0.9982

the cumulative cross-validation coefficients (Q) were 0.9948

0.9975 and 0.9975

and the standard deviations (SD) were 0.0222

0.0754 and 0.0868

respectively. The result illustrates that the established models are reliable and better than those in literature.