Keshavarz, Mohammad Hossein published the artcilePrediction of the condensed phase heat of formation of energetic compounds, Computed Properties of 1821-27-8, the publication is Journal of Hazardous Materials (2011), 190(1-3), 330-344, database is CAplus and MEDLINE.
A new reliable simple model is presented for estimating the condensed phase heat of formation of important classes of energetic compounds including polynitro arene, polynitro heteroarene, acyclic and cyclic nitramine, nitrate ester and nitroaliph. compounds For CHNO energetic compounds, elemental compositions as well as increasing and decreasing energy content parameters are used in the new method. The novel correlation is tested for 192 organic compounds containing complex mol. structures with at least one nitro, nitramine or nitrate energetic functional groups. This work improves the predictive ability of previous empirical correlations for a wide range of energetic compounds For those energetic compounds where group additivity method can be applied and outputs of quantum mech. computations were available, it is shown that the root mean square (rms) deviation of the new method is lower.
Journal of Hazardous Materials published new progress about 1821-27-8. 1821-27-8 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Amine,Benzene, name is Bis(4-nitrophenyl)amine, and the molecular formula is C12H9N3O4, Computed Properties of 1821-27-8.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia