1,3-Pentadiene, 2-methyl-, (E)-
- Formula: C6H10
- Molecular weight: 82.1436
- IUPAC Standard InChI: InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+
- 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
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- 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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 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 |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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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