Benzene, 1-butyl-4-nitro-

Formula: C₁₀H₁₃NO₂
Molecular weight: 179.2157
IUPAC Standard InChI: InChI=1S/C10H13NO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
IUPAC Standard InChIKey: JZRBCNLSIDKBMG-UHFFFAOYSA-N
CAS Registry Number: 20651-75-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: p-Nitrobutylbenzene; 1-butyl-4-nitrobenzene
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Phase change data
- Gas Chromatography
Options:
- Switch to SI units

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
10.1 ± 0.1	EI	Lightner, Majeti, et al., 1972

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₇H₆NO₂⁺	12.5 ± 0.1	?	EI	Lightner, Majeti, et al., 1972
C₇H₇NO₂⁺	11.4 ± 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
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.