Prediction of olefin boiling points from molecular structure

The normal boiling points for olefins are predicted by use of exclusively topological descriptors derived from molecular structure. Predictive equations having from one to eight independent variables were obtained by applying multiple linear regression analysis to a set of topological descriptors (independent variables) and the observed boiling points of 123 C/sub 2/-C/sub 10/ olefins (dependent variable). The best model found, which included eight descriptors, yielded a correlation coefficient of 0.999 and an estimated standard deviation of 1.78 /sup 0/C.