Author(s):   Nikolaeva, E.V.; Egorov, D.L.; Chachkov, D.V.; Shamov, A.G.; Khrapkovskii, G.M.
Title:   Transition state structure of the reaction of homolytic dissociation of the C-N bond and competition between dif erent mechanisms of the primary act of gas-phase monomolecular decomposition of nitrobenzene
Journal:   Russ. Chem. Bull.
Volume:   68
Page(s):   1510 - 1519
Year:   2019
Reference type:   Journal article
Squib:   2019NIK/EGO1510-1519

Associated entries:

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Rate expression: k(T) = A (T/298 K)ⁿ e^-Ea/RT
Rate expression units:
First order: s^-1
Second order: cm³/molecule s
Third order: cm⁶/molecule² s
R = 8.314472 J / mole K

Energy Units	J	Molecular Units	Molecule
Pressure Units	bar	Temperature Units	K
Base Volume Unit	cm	Reference Temperature	298.0
Evaluation Temperature	298.0

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Squib	Reaction	Temp [K]	A	Ea [J/mole]	k(298.00 K)	Order
2019NIK/EGO1510-1519	Nitrobenzene → Phenyl + NO₂	673 - 1273	1.26E18	2.97E05		1
2019NIK/EGO1510-1519	Nitrobenzene → C₆H₅O + NO	298 - 718	1.58E14	2.70E05	8.77E-34	1
2019NIK/EGO1510-1519	Nitrobenzene → Nitrous acid phenyl ester	298 - 718	1.58E14	2.69E05	9.51E-34	1
2019NIK/EGO1510-1519	Nitrobenzene → Nitrous acid phenyl ester	298 - 718	3.98E22	2.96E05	5.88E-30	1
2019NIK/EGO1510-1519	Nitrobenzene → HONO (unspecified cis/trans isomer) + Benzyne	298 - 718	2.51E17	3.52E05	4.27E-45	1
2019NIK/EGO1510-1519	Nitrobenzene → 6(S)-7-oxa-8-azabicyclo[4.2.0]octa-1(8),2,4-triene 8-oxide	298 - 718	3.98E11	2.68E05	4.76E-36	1

Search returned 6 records.