Heats of Combustion of Some Organic Nitrogen Compounds

A Generally Applicable Computer Algorithm Based on the Group Additivity Method for the Calculation of Seven Molecular Descriptors: Heat of Combustion, LogPO/W, LogS, Refractivity, Polarizability, Toxicity and LogBB of Organic Compounds; Scope and Limits of Applicability

“…, in their stable form at 25 °C and standard atmospheric pressure. The computation of the atom group contributions listed in Table 3 are based on the experimental data of organic molecules published in several papers, essentially E. S. Domalski’s collection of compounds [42] containing the elements C, H, N, O, P and S, supplemented with data for further nitrogen compounds by Young et al [43], for a series of amino acids by Ovchinnikov [44], for fluoro and chloro compounds by Cox et al [45], Smith et al [46] and Shaub [47], for bromo compounds by Bjellerup [48], for peroxy acids and esters by Swain Jr. et al [49], for silicon-containing compounds by Tannenbaum et al [50] and Good et al [51], and finally by the National Institute of Standards and Technology [52] and their respective literature citations. A number of experimental heat-of-combustion data was indirectly evaluated from experimental heat-of-formation values of compounds, for which only these were cited [53], using standard heat-of-formation data for the oxidation products.…”

Determination of the enthalpies of combustion and formation of substituted triazines in an adiabatic rotating bomb calorimeter

“…Other related compounds for which calorimetric determinations of thermochemical properties have been reported are 1,3,5-triphenyl-1,3,5-triazine-2,4,6-trione [9], 2,4,6-triphenoxy-1,3,5-triazine [9], 2,4,6-trichloro-1,3,5-triazine [10], 6-amino-1,3,5-triazine [9], 4,6-diamino-1,3,5-triazine-2-one [9], hexahydro-1,3,5-trinitroso-1,3,5-triazine [11,12], 1,3,5-trinitro-1,3,5-triazine [11,12], 2,4-dichloro-6-ethylamine-1,3,5-triazine [13], 2-chloro-4,6-bis(ethylamine)-1,3,5-triazine [13], 2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine [13], and 2-chloro-4,6-bis(isopropyl-amino)-1,3,5-tri-azine [13].…”