THEORETICAL PREDICTION OF ENTHALPIES AND TEMPERATURES OF SUBLIMATION OF ORGANOCHLORINE COMPOUNDS INCLUDING PESTICIDES

Crystal lattice energies of several organochlorine compounds - includi ng pesticides, of known crystal structures, were calculated on the bas is of a model which takes into account electrostatic, dispersive and r epulsive interactions - using three different sets of empirical parame ters. These characteristics compare reasonably with experimental heats of volatilization, and it was subsequently shown how statistical and classical thermodynamics can be employed to evaluate dependencies of f unction of states of gaseous and solid compounds on temperature and ho w enthalpies and temperatures of sublimation at standard pressure, as well as vapour pressure vs. temperature dependencies can be predicted.