(E,E,E)-2,4,6-Octatriene

Formula: C₈H₁₂
Molecular weight: 108.1809
IUPAC Standard InChI: InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3+,6-4+,8-7+
IUPAC Standard InChIKey: CGMDPTNRMYIZTM-NKYSMPERSA-N
CAS Registry Number: 15192-80-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
Other names: s2,4,6-Octatriene, (E,E,E)-; (E,E,E)-CH3CH=CHCH=CHCH=CHCH3; 2,4,6-Octatriene, (E,E,E)-
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase ion energetics data

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

View reactions leading to C₈H₁₂⁺ (ion structure unspecified)

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₈H₁₂⁺	7.95	?	PE	Astrup, Bock, et al., 1975	Vertical value

References

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

Astrup, Bock, et al., 1975
Astrup, E.E.; Bock, H.; Wittel, K.; Heimbach, P., Photoelectron spectra and molecular properties. LIII. Methyl-substituent effects on the hexatriene π system, Acta Chem. Scand. Ser. A:, 1975, 29, 827. [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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