Ethyl radical

Formula: C₂H₅
Molecular weight: 29.0611
IUPAC Standard InChI: InChI=1S/C2H5/c1-2/h1H2,2H3
IUPAC Standard InChIKey: QUPDWYMUPZLYJZ-UHFFFAOYSA-N
CAS Registry Number: 2025-56-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Isotopologues:
- Ethyl radical-1,1-d2
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Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: 3p

Energy (cm^-1)		Med.	Transition	References


T_x = 48800	T	gas	3p-X	Wendt and Hunziker, 1984
				Munk, Pagsberg, et al., 1986
				Sappey and Weisshaar, 1987

State: 3s

Energy (cm^-1)		Med.	Transition	References


T_x = 40600	T	gas	3s-X	Wendt, Wyrsch, et al., 1974
				Parkes and Quinn, 1976
				Wendt and Hunziker, 1984
				Munk, Pagsberg, et al., 1986

State: X

Vib. sym.	Approximate type of mode	cm^-1		Med.	Method	References


a'	CH₂ s-stretch	3037.02		gas	LD	Davis, Uy, et al., 2000
	CH₂ s-stretch	3033	m	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CH₂ s-stretch	3032.6		H₂	IR	Sogoshi, Wakabayashi, et al., 1997 Wu, Yang, et al., 2004
	CH₃ s-stretch	2875.64		gas	LD	Haber, Blair, et al., 2006
	CH₃ s-stretch	2920	m	Ar	IR	Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983
	2-CH stretch	2854.10		gas	LD	Haber, Blair, et al., 2006
	2-CH stretch	2842	s	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CH₂ deform.	1440	m	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CH₂ deform.	1442.3		H₂	IR	Wu, Yang, et al., 2004
		1383		Ar	IR	Chettur and Snelson, 1987
		1392.4		H₂	IR	Wu, Yang, et al., 2004
	CH₃ deform.	1366	m	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CC stretch	1138	w	Ar	IR	Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CC stretch	1141.6		H₂	IR	Wu, Yang, et al., 2004
		1025		Ar	IR	Chettur and Snelson, 1987
	CCH₂ umbrella	528.12		gas	DL	Sears, Johnson, et al., 1996 Sears, Johnson, et al., 1999
	CCH₂ umbrella	540	vs	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CCH₂ umbrella	541.7		H₂	IR	Wu, Yang, et al., 2004
a	CH₂ a-stretch	3128.69		gas	LD	Davis, Uy, et al., 2000
	CH₂ a-stretch	3112	s	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CH₂ a-stretch	3122.8		H₂	IR	Sogoshi, Wakabayashi, et al., 1997 Wu, Yang, et al., 2004
	CH₃ a-stretch	3000.17		gas	LD	Haber, Blair, et al., 2006
	CH₃ a-stretch	2987	s	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983
	CH₃ a-stretch	2984.3		H₂	IR	Sogoshi, Wakabayashi, et al., 1997 Wu, Yang, et al., 2004
	CH₃ deform.	1440	m	Ar	IR	Pacansky, Gardini, et al., 1976 Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	CH₃ deform.	1442.3		H₂	IR	Wu, Yang, et al., 2004
	H deform.	1175	m	Ar	IR	Pacansky and Dupuis, 1982 Pacansky and Schrader, 1983 Chettur and Snelson, 1987
	H deform.	1167.3		H₂	IR	Wu, Yang, et al., 2004

Additional references: Jacox, 1994, page 359; Jacox, 1998, page 323; Jacox, 2003, page 334; Sogoshi, Wakabayashi, et al., 2001; Kim and Yamamoto, 2004

Notes

Weak

Medium

Strong

Very strong

Tentative assignment or approximate value

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Wendt and Hunziker, 1984
Wendt, H.R.; Hunziker, H.E., The UV spectra of primary, secondary, and tertiary alkyl radicals, J. Chem. Phys., 1984, 81, 2, 717, https://doi.org/10.1063/1.447755 . [all data]

Munk, Pagsberg, et al., 1986
Munk, J.; Pagsberg, P.; Ratajczak, E.; Sillesen, A., Spectrokinetic studies of ethyl and ethylperoxy radicals, J. Phys. Chem., 1986, 90, 12, 2752, https://doi.org/10.1021/j100403a038 . [all data]

Sappey and Weisshaar, 1987
Sappey, A.D.; Weisshaar, J.C., Vibronic spectrum of cold, gas-phase allyl radicals by multiphoton ionization, J. Phys. Chem., 1987, 91, 14, 3731, https://doi.org/10.1021/j100298a004 . [all data]

Wendt, Wyrsch, et al., 1974
Wendt, H.R.; Wyrsch, D.; Hunziker, H.E., Ber. Bunsenges. Phys. Chem., 1974, 78, 201. [all data]

Parkes and Quinn, 1976
Parkes, D.A.; Quinn, C.P., J. Chem. Soc., 1976, Faraday Trans. 1 72, 1952. [all data]

Davis, Uy, et al., 2000
Davis, S.; Uy, D.; Nesbitt, D.J., Laser spectroscopy of jet-cooled ethyl radical: Infrared studies in the CH[sub 2] stretch manifold, J. Chem. Phys., 2000, 112, 4, 1823, https://doi.org/10.1063/1.480746 . [all data]

Pacansky, Gardini, et al., 1976
Pacansky, J.; Gardini, G.P.; Bargon, J., Low temperature studies on propionyl benzoyl peroxide and propionyl peroxide. The ethyl radical, J. Am. Chem. Soc., 1976, 98, 9, 2665, https://doi.org/10.1021/ja00425a045 . [all data]

Pacansky and Dupuis, 1982
Pacansky, J.; Dupuis, M., Assignment of the infrared spectrum for the ethyl radical, J. Am. Chem. Soc., 1982, 104, 2, 415, https://doi.org/10.1021/ja00366a007 . [all data]

Pacansky and Schrader, 1983
Pacansky, J.; Schrader, B., Calculation of the frequencies and intensities in the infrared spectrum of the ethyl radical, J. Chem. Phys., 1983, 78, 3, 1033, https://doi.org/10.1063/1.444903 . [all data]

Chettur and Snelson, 1987
Chettur, G.; Snelson, A., Alkylperoxy and alkyl radicals. 4. Matrix IR spectra and UV photolysis of ethylperoxy and ethyl radicals, J. Phys. Chem., 1987, 91, 13, 3483, https://doi.org/10.1021/j100297a006 . [all data]

Sogoshi, Wakabayashi, et al., 1997
Sogoshi, N.; Wakabayashi, T.; Momose, T.; Shida, T., Infrared Spectroscopic Studies on Photolysis of Ethyl Iodide in Solid Parahydrogen, J. Phys. Chem. A, 1997, 101, 4, 522, https://doi.org/10.1021/jp961911r . [all data]

Wu, Yang, et al., 2004
Wu, Y.-J.; Yang, X.; Lee, Y.-P., Infrared matrix-isolation spectroscopy using pulsed deposition of p-H[sub 2], J. Chem. Phys., 2004, 120, 3, 1168, https://doi.org/10.1063/1.1639151 . [all data]

Haber, Blair, et al., 2006
Haber, T.; Blair, A.C.; Nesbitt, D.J.; Schuder, M.D., CH stretch/internal rotor dynamics in ethyl radical: High-resolution spectroscopy in the CH[sub 3]-stretch manifold, J. Chem. Phys., 2006, 124, 5, 054316, https://doi.org/10.1063/1.2140740 . [all data]

Sears, Johnson, et al., 1996
Sears, T.J.; Johnson, P.M.; Jin, P.; Oatis, S., Infrared laser transient absorption spectroscopy of the ethyl radical, J. Chem. Phys., 1996, 104, 3, 781, https://doi.org/10.1063/1.470803 . [all data]

Sears, Johnson, et al., 1999
Sears, T.J.; Johnson, P.M.; BeeBe-Wang, J., Infrared spectrum of the CH[sub 2] out-of-plane fundamental of C[sub 2]H[sub 5], J. Chem. Phys., 1999, 111, 20, 9213, https://doi.org/10.1063/1.479835 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Sogoshi, Wakabayashi, et al., 2001
Sogoshi, N.; Wakabayashi, T.; Momose, T.; Shida, T., Infrared Spectroscopic Study on Photolysis of Ethyl Iodide in Solid Parahydrogen: Perdeuterated Iodide System, J. Phys. Chem. A, 2001, 105, 13, 3077, https://doi.org/10.1021/jp004027g . [all data]

Kim and Yamamoto, 2004
Kim, E.; Yamamoto, S., Fourier transform millimeter-wave spectroscopy of the ethyl radical in the electronic ground state, J. Chem. Phys., 2004, 120, 7, 3265, https://doi.org/10.1063/1.1640616 . [all data]

Notes

Go To: Top, Vibrational and/or electronic energy levels, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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