1-butyl-3-nitrobenzene

Formula: C₁₀H₁₃NO₂
Molecular weight: 179.2157
IUPAC Standard InChI: InChI=1S/C10H13NO2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3
IUPAC Standard InChIKey: INMYTBBXRJWIOA-UHFFFAOYSA-N
CAS Registry Number: 20651-76-7
Chemical structure:
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Other names: Benzene, 1-butyl-3-nitro-
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Gas phase ion energetics data

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV)	Method	Reference
9.9 ± 0.1	EI	Lightner, Majeti, et al., 1972

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₇H₆NO₂⁺	13.1 ± 0.1	?	EI	Lightner, Majeti, et al., 1972
C₇H₇NO₂⁺	11.5 ± 0.1	CH₂=CHCH₃	EI	Lightner, Majeti, et al., 1972

References

Go To: Top, Gas phase ion energetics data, Notes

Lightner, Majeti, et al., 1972
Lightner, D.A.; Majeti, S.; Nicoletti, R.; Thommen, E., Benzyl vs. tropylium ions in the electron impact induced decomposition of n- butylbenzenes, Intra-Sci. Chem. Rep., 1972, 6, 113. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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