ABSTRACT
The physical properties of both new and existing energetic chemicals must be well understood to ensure good performance, safe handling, and environmental compatibility. Properties such as density and enthalpy of formation help predict explosive performance. Melting point and vapor pressure help predict safe operating conditions. Aqueous solubility, octanol-water partition coef cient, and Henry’s Law constants help gauge environmental impact. Experimentally determining these physical properties is a dif cult and sometimes hazardous undertaking. Fortunately, computational methods are available that can give adequate, and sometimes very good, estimates for many of these physical properties.
