Ethylene

Formula: C₂H₄
Molecular weight: 28.0532
IUPAC Standard InChI: InChI=1S/C2H4/c1-2/h1-2H2
IUPAC Standard InChIKey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
CAS Registry Number: 74-85-1
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.
Isotopologues:
- (Z)-Ethylene-1,2-d2
Other names: Ethene; Acetene; Bicarburretted hydrogen; Elayl; Olefiant gas; C2H4; Athylen; Liquid ethyene; UN 1038; UN 1962
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 54
- Henry's Law data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Fluid Properties
Data at other public NIST sites:
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase ion energetics data

Go To: Top, References, Notes

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 C₂H₄⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.5138 ± 0.0006	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	162.6	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	155.7	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_{(+) ion}	254.9 ± 0.2	kcal/mol	N/A	N/A
Quantity	Value	Units	Method	Reference	Comment
Δ_fH_{(+) ion,0K}	257.	kcal/mol	N/A	N/A

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.51	CI	Ohno, Okamura, et al., 1995	LL
10.5138 ± 0.0006	LS	Williams and Cool, 1991	LL
10.51 ± 0.015	EI	Plessis and Marmet, 1986	LBLHLM
10.509 ± 0.005	EVAL	Plessis and Marmet, 1986	LBLHLM
10.51	PE	Kimura, Katsumata, et al., 1981	LLK
10.50 ± 0.02	PI	Wood and Taylor, 1979	LLK
10.514 ± 0.007	PE	Carlier and Botter, 1979	LLK
10.51	PE	Sell, Mintz, et al., 1978	LLK
10.51 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
~10.5	EI	Van Veen, 1976	LLK
10.517 ± 0.002	TE	Stockbauer and Inghram, 1975	LLK
10.517 ± 0.003	TE	Stockbauer and Inghram, 1975, 2	LLK
10.51	PI	Rabalais, Debies, et al., 1974	LLK
10.5	EI	Maeda, Suzuki, et al., 1974	LLK
10.507 ± 0.004	PI	Knowles and Nicholson, 1974	LLK
10.51 ± 0.01	EI	Gordon, Krige, et al., 1974	LLK
10.515 ± 0.003	PE	Masclet, Grosjean, et al., 1973	LLK
10.51	PE	Beez, Bieri, et al., 1973	LLK
10.51	PE	Mason, Kuppermann, et al., 1972	LLK
10.51	PE	Brundle, Robin, et al., 1972	LLK
10.56	PE	Frost and Sandhu, 1971	LLK
10.51 ± 0.02	PE	Branton, Frost, et al., 1970	RDSH
10.51 ± 0.05	PE	Eland, 1969	RDSH
10.50 ± 0.05	EI	Williams and Hamill, 1968	RDSH
10.51	PE	Baker, Baker, et al., 1968	RDSH
10.511 ± 0.005	PI	Brehm, 1966	RDSH
10.50 ± 0.01	PI	Botter, Dibeler, et al., 1966	RDSH
10.507 ± 0.004	PI	Nicholson, 1965	RDSH
10.50 ± 0.02	PI	Momigny, 1963	RDSH
10.52 ± 0.01	PI	Watanabe, 1954	RDSH
10.51 ± 0.03	S	Price and Tutte, 1940	RDSH
10.80 ± 0.05	EI	Kusch, Hustrulid, et al., 1937	RDSH
10.68	PE	Bieri and Asbrink, 1980	Vertical value; LLK
10.50 ± 0.01	PE	Krause, Taylor, et al., 1978	Vertical value; LLK
10.5	PE	Kobayashi, 1978	Vertical value; LLK
10.5	PE	White, Carlson, et al., 1974	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	≤18.30 ± 0.16	CH₄	EI	Plessis and Marmet, 1986	LBLHLM
C⁺	24.4	?	EI	Maeda, Suzuki, et al., 1974	LLK
C⁺	24.6 ± 0.5	?	EI	Kusch, Hustrulid, et al., 1937	RDSH
CH⁺	17.68 ± 0.16	CH₃	EI	Plessis and Marmet, 1986	LBLHLM
CH⁺	22.1	?	EI	Maeda, Suzuki, et al., 1974	LLK
CH⁺	22.9 ± 0.5	?	EI	Kusch, Hustrulid, et al., 1937	RDSH
CH₂⁺	17.82 ± 0.06	CH₂	EI	Plessis and Marmet, 1986	LBLHLM
CH₂⁺	18.04 ± 0.04	CH₂	TE	Stockbauer and Inghram, 1975, 2	LLK
CH₂⁺	18.4	CH₂	EI	Maeda, Suzuki, et al., 1974	LLK
CH₂⁺	18.05	CH₂	PI	Chupka, Berkowitz, et al., 1969	RDSH
CH₂⁺	19.2 ± 0.3	?	EI	Kusch, Hustrulid, et al., 1937	RDSH
CH₃⁺	15.60 ± 0.20	CH^-	EI	Plessis and Marmet, 1986	LBLHLM
CH₃⁺	16.95 ± 0.15	CH	EI	Plessis and Marmet, 1986	LBLHLM
CH₃⁺	19.3	?	EI	Maeda, Suzuki, et al., 1974	LLK
CH₄⁺	18.66	C^-	EI	Plessis and Marmet, 1986	LBLHLM
C₂⁺	24.5	?	EI	Maeda, Suzuki, et al., 1974	LLK
C₂⁺	26.4 ± 1.0	2H+H₂	EI	Kusch, Hustrulid, et al., 1937	RDSH
C₂H⁺	18.7	H+H₂	EI	Maeda, Suzuki, et al., 1974	LLK
C₂H⁺	19.2 ± 1.0	H+H₂	EI	Kusch, Hustrulid, et al., 1937	RDSH
C₂H₂⁺	13.14 ± 0.03	H₂	EI	Plessis and Marmet, 1986	LBLHLM
C₂H₂⁺	13.2 ± 0.1	H₂	PIPECO	Bombach, Dannacher, et al., 1984	T = 0K; LBLHLM
C₂H₂⁺	13.55	H₂	PI	Wood and Taylor, 1979	LLK
C₂H₂⁺	13.13 ± 0.04	H₂	EI	Gordon, Harvey, et al., 1977	LLK
C₂H₂⁺	13.0 ± 0.1	H₂	EI	Gordon, Harvey, et al., 1977	LLK
C₂H₂⁺	13.14 ± 0.01	H₂	TE	Stockbauer and Inghram, 1975, 2	LLK
C₂H₂⁺	13.1	H₂	EI	Maeda, Suzuki, et al., 1974	LLK
C₂H₂⁺	13.11 ± 0.02	H₂	EI	Gordon, Krige, et al., 1974	LLK
C₂H₂⁺	13.13 ± 0.02	H₂	PI	Chupka, Berkowitz, et al., 1969	RDSH
C₂H₂⁺	12.96 ± 0.02	H₂	PI	Brehm, 1966	RDSH
C₂H₂⁺	13.12 ± 0.03	H₂	PI	Botter, Dibeler, et al., 1966	RDSH
C₂H₂⁺	13.4 ± 0.2	H₂	EI	Kusch, Hustrulid, et al., 1937	RDSH
C₂H₃⁺	12.35 ± 0.10	H^-	EI	Plessis and Marmet, 1986	LBLHLM
C₂H₃⁺	13.10 ± 0.08	H	EI	Plessis and Marmet, 1986	LBLHLM
C₂H₃⁺	13.3 ± 0.1	H	PIPECO	Bombach, Dannacher, et al., 1984	T = 0K; LBLHLM
C₂H₃⁺	13.55	H	PI	Wood and Taylor, 1979	LLK
C₂H₃⁺	13.22 ± 0.02	H	TE	Stockbauer and Inghram, 1975, 2	LLK
C₂H₃⁺	13.6	H	EI	Maeda, Suzuki, et al., 1974	LLK
C₂H₃⁺	13.31 ± 0.03	H	EI	Gordon, Krige, et al., 1974	LLK
C₂H₃⁺	13.52 ± 0.04	H	EI	Finney and Harrison, 1972	LLK
C₂H₃⁺	13.25 ± 0.05	H	PI	Chupka, Berkowitz, et al., 1969	RDSH
C₂H₃⁺	13.37 ± 0.03	H	PI	Brehm, 1966	RDSH
C₂H₃⁺	14.1 ± 0.1	H	EI	Kusch, Hustrulid, et al., 1937	RDSH
H⁺	18.66 ± 0.05	C₂H₃	C2H3	Shiromaru, Achiba, et al., 1987	LBLHLM
H⁺	26.2 ± 1.5	C₂H₃	EI	Kusch, Hustrulid, et al., 1937	RDSH
H₂⁺	22.4 ± 1.5	?	EI	Kusch, Hustrulid, et al., 1937	RDSH

De-protonation reactions

C₂H₃^- + = Ethylene

By formula: C₂H₃^- + H⁺ = C₂H₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	407. ± 2.	kcal/mol	AVG	N/A	Average of 5 out of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	401.00 ± 0.50	kcal/mol	IMRE	Ervin, Gronert, et al., 1990	gas phase; B
Δ_rG°	399.1 ± 2.1	kcal/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B
Δ_rG°	398.6 ± 4.9	kcal/mol	H-TS	Peerboom, Rademaker, et al., 1992	gas phase; B
Δ_rG°	>397.00	kcal/mol	IMRB	Froelicher, Freiser, et al., 1986	gas phase; B

References

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

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ohno, Okamura, et al., 1995
Ohno, K.; Okamura, K.; Yamakado, H.; Hoshino, S.; Takami, T.; Yamauchi, M., Penning ionization of HCHO, CH₂CH₂, and CH₂CHCHO by collision with He*(2 3S) metastable atoms, J. Phys. Chem., 1995, 99, 14247. [all data]

Williams and Cool, 1991
Williams, B.A.; Cool, T.A., Two-photon spectroscopy of Rydberg states of jet-cooled C₂H₄ and C₂D₄, J. Am. Chem. Soc., 1991, 94, 6358. [all data]

Plessis and Marmet, 1986
Plessis, P.; Marmet, P., Electroionization study of ethylene: Ionization and appearance energies, ion-pair formations, and negative ions, Can. J. Phys., 1986, 65, 165. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Wood and Taylor, 1979
Wood, K.V.; Taylor, J.W., A photoionization mass spectrometric study of autoionization in ethylene and trans-2-butene, Int. J. Mass Spectrom. Ion Phys., 1979, 30, 307. [all data]

Carlier and Botter, 1979
Carlier, J.; Botter, R., Photoelectron spectra of ethylene of the six deuterated derivatives, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 91. [all data]

Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon π electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [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]

Van Veen, 1976
Van Veen, E.H., Low-energy electron-impact spectroscopy on ethylene, Chem. Phys. Lett., 1976, 41, 540. [all data]

Stockbauer and Inghram, 1975
Stockbauer, R.; Inghram, M.G., Vibrational structure in the ground state of ethylene ethylene-d4 molecular ions investigated by threshold photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 492. [all data]

Stockbauer and Inghram, 1975, 2
Stockbauer, R.; Inghram, M.G., Threshold photoelectron-photoion coincidence mass spectrometric study of ethylene and ethylene-d4, J. Chem. Phys., 1975, 62, 4862. [all data]

Rabalais, Debies, et al., 1974
Rabalais, J.W.; Debies, T.P.; Berkosky, J.L.; Huang, J.-T.J.; Ellison, F.O., Calculated photoionization cross sections relative experimental photoionization intensities for a selection of small molecules, J. Chem. Phys., 1974, 61, 516. [all data]

Maeda, Suzuki, et al., 1974
Maeda, K.; Suzuki, I.H.; Koyama, Y., Ionization efficiency curves of ethylene by electron impact, Int. J. Mass Spectrom. Ion Phys., 1974, 14, 273. [all data]

Knowles and Nicholson, 1974
Knowles, D.J.; Nicholson, A.J.C., Ionization energies of formic and acetic acid monomers, J. Chem. Phys., 1974, 60, 1180. [all data]

Gordon, Krige, et al., 1974
Gordon, S.M.; Krige, G.J.; Reid, N.W., Isotope effects in the unimolecular decomposition of ethylene by low-energy electron impact, Int. J. Mass Spectrom. Ion Phys., 1974, 14, 109. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Beez, Bieri, et al., 1973
Beez, M.; Bieri, G.; Bock, H.; Heilbronner, E., The ionization potentials of butadiene, hexatriene, andtheir methyl derivatives: evidence for through space interaction between double bond π-orbitals and non-bonded pseudo-π orbitals of methyl groups?, Helv. Chim. Acta, 1973, 56, 1028. [all data]

Mason, Kuppermann, et al., 1972
Mason, D.C.; Kuppermann, A.; Mintz, D.M., Angular distribution of electrons from the photoionization of ethylene in Electron Spectroscopy, ed. D.A. Shirley (North Holland, Amsterdam), 1972, 269. [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H., Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules, J. Am. Chem. Soc., 1972, 94, 1451. [all data]

Frost and Sandhu, 1971
Frost, D.C.; Sandhu, J.S., Ionization potentials of ethylene and some methyl-substituted ethylenes as determined by photoelectron spectroscopy, Indian J. Chem., 1971, 9, 1105. [all data]

Branton, Frost, et al., 1970
Branton, G.R.; Frost, D.C.; Makita, T.; McDowell, C.A.; Stenhouse, I.A., Photoelectron spectra of ethylene and ethylene-d₄, J. Chem. Phys., 1970, 52, 802. [all data]

Eland, 1969
Eland, J.H.D., Photoelectron spectra of conjugated hydrocarbons and heteromolecules, Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 471. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W., The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 285. [all data]

Brehm, 1966
Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

Botter, Dibeler, et al., 1966
Botter, R.; Dibeler, V.H.; Walker, J.A.; Rosenstock, H.M., Mass-spectrometric study of photoionization. IV.Ethylene and 1,2-dideuteroethylene, J. Chem. Phys., 1966, 45, 1298. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Momigny, 1963
Momigny, J., Ionization potentials and the structures of the photo-ionization yield curves of ethylene and its halogeno derivatives, Nature, 1963, 199, 1179. [all data]

Watanabe, 1954
Watanabe, K., Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH₃ and NO, J. Chem. Phys., 1954, 22, 1564. [all data]

Price and Tutte, 1940
Price, W.C.; Tutte, W.T., The absorption spectra of ethylene, deutero-ethylene and some alkyl-substituted ethylenes in the vacuum ultra-violet, Proc. Roy. Soc. (London), 1940, A174, 207. [all data]

Kusch, Hustrulid, et al., 1937
Kusch, P.; Hustrulid, A.; Tate, J.T., The dissociation of HCN, C₂H₂, C₂N₂ and C₂H₄ by electron impact, Phys. Rev., 1937, 52, 843. [all data]

Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [all data]

Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [all data]

Kobayashi, 1978
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

White, Carlson, et al., 1974
White, R.M.; Carlson, T.A.; Spears, D.P., Angular distribution of the photoelectron spectra for ethylene, propylene, butene and butadiene, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 59. [all data]

Chupka, Berkowitz, et al., 1969
Chupka, W.A.; Berkowitz, J.; Refaey, K.M.A., Photoionization of ethylene with mass analysis, J. Chem. Phys., 1969, 50, 1938. [all data]

Bombach, Dannacher, et al., 1984
Bombach, R.; Dannacher, J.; Stadelmann, J.-P., The rate/energy functions for the competitive fragmentation processes of ethylene and ethane cations, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 217. [all data]

Gordon, Harvey, et al., 1977
Gordon, S.M.; Harvey, G.A.; Jackson, J.R.; Tresling, J.D.; Van Niekerk, J.M., Computer-assisted retarding potential difference system for ionization efficiency measurements, Int. J. Mass Spectrom. Ion Phys., 1977, 23, 259. [all data]

Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Shiromaru, Achiba, et al., 1987
Shiromaru, H.; Achiba, Y.; Kimura, K.; Lee, Y.T., Determination of the C-H bond dissociation energies of ethylene and acetylene by observation of the threshold energies of H⁺ formation by synchrotron radiation, J. Phys. Chem., 1987, 91, 17. [all data]

Ervin, Gronert, et al., 1990
Ervin, K.M.; Gronert, S.; Barlow, S.E.; Gilles, M.K.; Harrison, A.G.; Bierbaum, V.M.; DePuy, C.H.; Lin, W.C., Bonds Strengths of Ethylene and Acetylene, J. Am. Chem. Soc., 1990, 112, 15, 5750, https://doi.org/10.1021/ja00171a013 . [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608 . [all data]

Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R., The C₃H₅^- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase, J. Am. Chem. Soc., 1986, 108, 2853. [all data]

Notes

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

Symbols used in this document:

AE	Appearance energy
IE (evaluated)	Recommended ionization energy
Δ_fH_{(+) ion,0K}	Enthalpy of formation of positive ion at 0K
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.