1,3-Pentadiene, 2-methyl-, (E)-
- Formula: C6H10
- Molecular weight: 82.1436
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: RCJMVGJKROQDCB-SNAWJCMRSA-N
- CAS Registry Number: 926-54-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: (E)-CH2=C(CH3)CH=CHCH3; trans-2-Methyl-1,3-pentadiene; (E)-1,3-Pentadiene, 2-methyl-; 2-Methyl-1,trans-3-pentadiene; trans-2-methylpenta-1,3-diene
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H10+ (ion structure unspecified)
Ionization energy determinations
|8.42 ± 0.025||PE||Werstiuk and Timmins, 1988||LL|
|8.45 ± 0.05||EI||Wolkoff, Holmes, et al., 1980||LLK|
|8.45||EI||Lossing and Traeger, 1975||LLK|
|8.43||PE||Masclet, Mouvier, et al., 1981||Vertical value; LLK|
|8.47||PE||Worley, Webb, et al., 1979||Vertical value; LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C5H7+||10.37||CH3||EI||Lossing and Traeger, 1975||LLK|
Go To: Top, Gas phase ion energetics data, Notes
Werstiuk and Timmins, 1988
Werstiuk, N.; Timmins, G., A redetermination of the ultraviolet photoelectron spectrum of (Z)-2-methyl-1,3-pentadiene; evidence that twisted conformers predominate in the gas phase, Can. J. Chem., 1988, 66, 2954. [all data]
Wolkoff, Holmes, et al., 1980
Wolkoff, P.; Holmes, J.L.; Lossing, F.P., On the formation of cyclopentenium cations from all C6H10+ molecular ion structures, Can. J. Chem., 1980, 58, 251. [all data]
Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C., Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations, J. Am. Chem. Soc., 1975, 97, 1579. [all data]
Masclet, Mouvier, et al., 1981
Masclet, P.; Mouvier, G.; Bocquet, J.F., Effets electroniques et effets steriques dus a la substitution alcoyle dans les dienes conjugues, J. Chim. Phys., 1981, 78, 99. [all data]
Worley, Webb, et al., 1979
Worley, S.D.; Webb, T.R.; Gibson, D.H.; Ong, T.-S., On the electronic structures of cyclobutadiene trimethylenemethane, J. Organomet. Chem., 1979, 168, 16. [all data]
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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