(E,E)-1,3,5-Heptatriene, 5-methyl-

Formula: C₈H₁₂
Molecular weight: 108.1809
IUPAC Standard InChI: InChI=1S/C8H12/c1-4-6-7-8(3)5-2/h4-7H,1H2,2-3H3/b7-6+,8-5+
IUPAC Standard InChIKey: HBOBXPNYRYGOCI-ZCOYIIAOSA-N
CAS Registry Number: 58434-77-8
Chemical structure:
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Species with the same structure:
- 3-methyl-2,4,6-heptatriene
- 3-methyl-2,4,6-heptatriene
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Gas phase ion energetics data

Data compiled as indicated in comments:
LLK - 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⁺	8.01	?	PE	Astrup, Bock, et al., 1975	Vertical value; LLK

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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