A new release of the ASTM CHETAH program for hazard evaluation: Versions for mainframe and personal computer

CHETAH, which stands for the Chemical Thermodynamic and Energy Release Program, was introduced in 1974. Since then, the CHETAH program has been widely used in the chemical industry for hazard evaluation. Although its chief aim is to predict deflagration/detonation potential from molecular structure, it can also be used to estimate heats of reaction, heat capacities, and entropies. One of the limitations of the original program was its rigid, punched card oriented format for data input and the lack of an overall hazard rating derived from the several hazard criteria. A new release of this program alleviates these shortcomings and includes other improvements. The main features of the new release are: 1) a totally interactive front end, 2) an interpreter subroutine which uses sophisticated pattern recognition techniques to combine the four hazard criteria into an overall hazard rating, 3) recognition of certain atomic groupings which are known to be sensitive, 4) correct handling of the symmetry number, and 5) an updated data bank. One of the most important features of this release is its availability in an IBM PC compatible version, making the program accessible to more users.