CHETAH incorporates very convenient means for using the Benson group contribution system to estimate, from chemical structure alone, thermochemical data such as heat capacity, ideal gas entropy, heat of formation, equilibrium constants and heats of combustion for a multitude of compounds. The program is also very valuable in estimating the values of these thermochemical data for balanced reactions. In addition, it permits calculation of flammability limits for selected gas mixtures.
In addition to the above features, CHETAH provides means for classifying chemical compositions with respect to their potential for violent (explosive) self-reaction. In carrying out this function, CHETAH calculates the value of six hazard evaluation criteria.
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