1,3-Pentadiene, (Z)-

Formula: C₅H₈
Molecular weight: 68.1170
IUPAC Standard InChI: InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
IUPAC Standard InChIKey: PMJHHCWVYXUKFD-PLNGDYQASA-N
CAS Registry Number: 1574-41-0
Chemical structure:
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Stereoisomers:
- 1,3-Pentadiene, (E)-
- 1,3-Pentadiene
Other names: (Z)-1,3-Pentadiene; cis-Piperylene; cis-1-Methylbutadiene; cis-1,3-Pentadiene; (Z)-CH2=CHCH=CHCH3; 1,cis-3-Pentadiene; Pentadiene-1,3, cis-; (Z)-penta-1,3-diene
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Gas phase ion energetics data

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Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₅H₈⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	8.62 ± 0.03	eV	N/A	N/A	L

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.64	PE	Rucker, Lang, et al., 1980	LLK
8.67 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
8.59	PE	Dewar and Worley, 1968	RDSH
8.63	PE	Masclet, Mouvier, et al., 1981	Vertical value; LLK
8.60	PE	Worley, Webb, et al., 1980	Vertical value; LLK
8.60	PE	Worley, Webb, et al., 1979	Vertical value; LLK

References

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

Rucker, Lang, et al., 1980
Rucker, C.; Lang, D.; Sauer, J.; Friege, H.; Sustmann, R., Reaktivitat substituierter 1,3-Butadiene in Diels-Alder-Reaktionen, Chem. Ber., 1980, 113, 1663. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Dewar and Worley, 1968
Dewar, M.J.S.; Worley, S.D., Ionization potential of cis-1,3-butadiene, J. Chem. Phys., 1968, 49, 2454. [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., 1980
Worley, S.D.; Webb, T.R.; Gibson, D.H.; Ong, T.-S., The photoelectron spectra of some iron tricarbonyl complexes of 4π-electron donor ligands, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 189. [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

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Symbols used in this document:

IE (evaluated) Recommended ionization energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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