JANAF database

This is one of the most widely used thermochemical databases for inorganic compounds. The first and second editions of JANAF (Joint Army, Navy and Air Force) Tables date from 1964 and 1971, respectively. Supplements of the latter were released in 1974, 1975, 1978, and 1982. The third edition was published in 1985. 

This useful and simple-to-use software package relies on Benson s group additivity scheme [47] to estimate thermochemical data for organic compounds in the gas phase. It also contains values from several NIST databases, including NIST Positive Ion Energetics [32] and JANAF Tables [22]. The first version of... 

M. W. Chase Jr., C. A. Davies, J. R. Downey Jr., D. J. Frurip, R. A. McDonald, A. N. Syverud. NIST JANAF Thermochemical Tables 1985. Version 1.0 NIST Standard Reference Database 13 National Institute of Standards and Technology Gaithersburg, 1993. 

The program, called Stanjan [8] (see Appendix I), is readily handled even on the most modest computers. Like the Gordon-McBride program, both approaches use the JANAF thermochemical database [1], The suite of CHEMKIN programs (see Appendix H) also provides an equilibrium code based on Stanjan [8],... 

Because the author was unable to review the proofs to the second edition, numerous printing errors appeared in that edition. Apologies are due for the inconveniences caused. Much care has been exercised in the printing of this edition. SI units are used where appropriate throughout, particularly for thermodynamic data so that these data are now consistent with the JANAF tables in the appendix. In some instances where certain cgs databases have not been updated and where cgs units are so ingrained that SI may have proved an inconvenience, cgs units have prevailed. The table of conversion factors in the appendix should reduce any inconveniences. 

The first place that one should generally look for thermochemical data is in the NIST Chemistry Web Book [24], available at http // webbook.nist.gov. This database contains thermochemical properties for more than 7000 small organic and inorganic compounds, and includes the entire contents of several other databases. Table 5 shows the enthalpies of formation and standard entropies of the species from the reaction mechanism in Table 4 that are available in the NIST WebBook. These properties were available for 10 of the 15 species. The source cited in the NIST WebBook for all these species was the NIST-JANAF Themochemical Tables [25], which have long been the first choice for finding thermochemical data for inorganic and very small organic... 

By the way, a good BDE database of diatomic molecules can be foimd in Section 9 of the CRC Handbook of Chemistry and Physics (2002CRC), which collects over 800 data. BDEs of diatomic and smaller molecules can also be derived by using the NIST-JANAF Thermochemical Table (1998CHA). 

NIST-JANAF Thermochemical tables - NIST chemical kinetics database, http //kinetics.nist. gov/janaf... 

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