A linear multivariable model has been derived for the estimation of detonation velocity. Then, its two simplified forms, first-order linear models, have been proposed as estimators of detonation velocities of a large population of explosives having different skeletal structures. Then, the models are analyzed mathematically and regression equations are obtained and discussed. The first model possesses two independent variables E/M and density, whereas the second one is based on E/M only. The total energy (E) is obtained at the level of UB3LYP/6-31G(d) and M is the molecular weight of the explosive considered.