Lattice energies and heats of sublimation at 0 K for n-pentane, n-hexane, n-octane, and ammonia

Abstract

The lattice energies of n-pentane, n-hexane, n-octane, and ammonia have been calculated to be -11.1, -13.2, -17.3, and -8.7 kcal/mol, respectively. These values have been compared to previously calculated values, where available. A general discussion of the calculation of lattice energies and heats of sublimation at absolute zero temperature is presented.