Keshavarz, Mohammad Hossein published the artcileSimple Method for Prediction of the Standard Gibbs Free Energy of Formation of Energetic Compounds, Application In Synthesis of 1821-27-8, the publication is Propellants, Explosives, Pyrotechnics (2014), 39(6), 815-818, database is CAplus.
A reliable simple method for prediction of the standard Gibbs energy of formation (¦¤fG¦È) of energetic compounds containing nitroarom., acyclic, and cyclic nitramine, nitrate ester, and nitroaliph. compounds is introduced herein. The method is based on the contribution of elemental composition (¦¤fGelem¦È) and the correcting function for the presence of additive and non-additive mol. fragments (¦¤fGcorr¦È). In presence of some mol. moieties, ¦¤fGcorr¦È may increase or decrease the value of ¦¤fGelem¦È, depending on the intermol. interactions. The exptl. root-mean-square error (RMSE) of the novel correlation (22.7 kJ mol-1) is quite good. For some energetic compounds, where the computed values of two complex models of the quant. structure-property relationship (QSPR) theory were available, the exptl. RMSE developed by the new method is smaller than the values obtained by QSPR method.
Propellants, Explosives, Pyrotechnics 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, Application In Synthesis of 1821-27-8.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia