Computer Analysis of Thermochemical Data of Organic Compounds

Thermochemical data has been collected, processed and assessed at the University of Sussex over a period of years. Particular emphasis has been placed on standard enthalpies of formation of organic compounds, culminating in 1986 in a book containing values for approximately 3000 compounds of the elements C, H, O, N, S and halogens. Since then, data on entropies and heat capacities have been acquired and all the data set up as computer files which may be searched for compounds containing or not containing specific structural features. Software has also been developed for calculating values of thermochemical properties using files of parameters defined to fit those experimental values which are considered to be most reliable.