2-Propenyl, 1-methyl-

Formula: C₄H₇
Molecular weight: 55.0984
IUPAC Standard InChI: InChI=1S/C4H7/c1-3-4-2/h3-4H,1H2,2H3
IUPAC Standard InChIKey: CRPTXKKKIGGDBX-UHFFFAOYSA-N
CAS Registry Number: 903583-91-5
Chemical structure:
This structure is also available as a 2d Mol file
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Vibrational and/or electronic energy levels

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_o = 42039	gas	227	238	Callear and Lee, 1968

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


			777.7		Xe	IR	Maier and Senger, 1996
a'		H deformation	1492		gas	Ra	Tarrant, Getty, et al., 1996
	11	CH s-bend	1265		gas	Ra	Tarrant, Getty, et al., 1996
	16	C-CH₃ s-stretch	872		gas	Ra	Tarrant, Getty, et al., 1996
	17	C-C-C s-bend	499		gas	Ra	Tarrant, Getty, et al., 1996
	18	Skel. s-bend	289		gas	Ra	Tarrant, Getty, et al., 1996
a	22	CH OPLA	952	H	gas	Ra	Tarrant, Getty, et al., 1996
	27	CH₃ torsion	103	H	gas	Ra	Tarrant, Getty, et al., 1996

Additional references: Jacox, 1998, page 343

Notes

(1/2)(2ν)

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

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Callear and Lee, 1968
Callear, A.B.; Lee, H.K., Electronic spectra of the free allyl radical and some of its simple derivatives, Trans. Faraday Soc., 1968, 64, 308, https://doi.org/10.1039/tf9686400308 . [all data]

Maier and Senger, 1996
Maier, G.; Senger, S., Liebigs Ann., 1996, 1445. [all data]

Tarrant, Getty, et al., 1996
Tarrant, D.H.; Getty, J.D.; Liu, X.; Kelly, P.B., Resonance Raman Spectroscopy of the 1-Methylallyl Radical, J. Phys. Chem., 1996, 100, 19, 7772, https://doi.org/10.1021/jp9526253 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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