Ethane

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 compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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 C2H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)11.52 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)142.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity136.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11. ± 1.PIAu, Cooper, et al., 1993LL
11.52ESTLuo and Pacey, 1992LL
11.57EIPlessis and Marmet, 1987LBLHLM
11.56 ± 0.02EIPlessis and Marmet, 1987, 2LBLHLM
11.4 ± 0.4EIChatham, Hils, et al., 1984LBLHLM
11.5 ± 0.1EISuzuki and Maeda, 1977LLK
11.56 ± 0.02PEBieri, Burger, et al., 1977LLK
11.76 ± 0.05EIFlesch and Svec, 1973LLK
11.45 ± 0.05TEStockbauer and Inghram, 1971LLK
11.51PEDewar and Worley, 1969RDSH
11.66 ± 0.05EIWilliams and Hamill, 1968RDSH
11.55CICermak, 1968RDSH
11.56PEBaker, Baker, et al., 1968RDSH
11.521 ± 0.007PINicholson, 1965RDSH
11.99PEKimura, Katsumata, et al., 1981Vertical value; LLK
12.0PEBieri and Asbrink, 1980Vertical value; LLK
12.1 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK
12.00PEDoucet, Sauvageau, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+43. ± 1.?PIAu, Cooper, et al., 1993LL
C+20.3 ± 0.2CH4+H2EIPlessis and Marmet, 1987, 2LBLHLM
C+29.6 ± 0.2?EISuzuki and Maeda, 1977, 2LLK
CH+31. ± 1.?PIAu, Cooper, et al., 1993LL
CH+20.10 ± 0.08CH3+H2EIPlessis and Marmet, 1987, 2LBLHLM
CH+26.7 ± 0.5?EISuzuki and Maeda, 1977, 2LLK
CH2+25. ± 1.?PIAu, Cooper, et al., 1993LL
CH2+14.69 ± 0.05CH4EIPlessis and Marmet, 1987, 2LBLHLM
CH2+17. ± 2.?EIChatham, Hils, et al., 1984LBLHLM
CH2+17.3 ± 0.15?EISuzuki and Maeda, 1977, 2LLK
CH3+14. ± 1.CH3PIAu, Cooper, et al., 1993LL
CH3+13.65 ± 0.04CH3EIPlessis and Marmet, 1987, 2LBLHLM
CH3+13.56 ± 0.04CH3-EIPlessis and Marmet, 1987, 2LBLHLM
CH3+14. ± 2.CH3EIChatham, Hils, et al., 1984LBLHLM
CH3+14.1 ± 0.1?EISuzuki and Maeda, 1977, 2LLK
CH3+13.46 ± 0.05CH3EIWilliams and Hamill, 1968RDSH
CH4+20.4 ± 0.3?EISuzuki and Maeda, 1977, 2LLK
C2+40. ± 1.?PIAu, Cooper, et al., 1993LL
C2+22.9 ± 0.33H2EIPlessis and Marmet, 1987, 2LBLHLM
C2+31.5 ± 0.2?EISuzuki and Maeda, 1977, 2LLK
C2H+27. ± 1.?PIAu, Cooper, et al., 1993LL
C2H+22.4 ± 0.32H2+HEIPlessis and Marmet, 1987, 2LBLHLM
C2H+25.6 ± 0.2?EISuzuki and Maeda, 1977, 2LLK
C2H2+14. ± 1.2H2PIAu, Cooper, et al., 1993LL
C2H2+14.51 ± 0.042H2EIPlessis and Marmet, 1987, 2LBLHLM
C2H2+15. ± 1.?EIChatham, Hils, et al., 1984LBLHLM
C2H2+14.7 ± 0.1?EISuzuki and Maeda, 1977, 2LLK
C2H2+15.35 ± 0.502H2EID'Or, Collin, et al., 1966RDSH
C2H3+14. ± 1.H2+HPIAu, Cooper, et al., 1993LL
C2H3+13.76 ± 0.08H2+H-EIPlessis and Marmet, 1987, 2LBLHLM
C2H3+14.50 ± 0.04H2+HEIPlessis and Marmet, 1987, 2LBLHLM
C2H3+14.5 ± 0.4H2+HEIChatham, Hils, et al., 1984LBLHLM
C2H3+14.6 ± 0.1H2+HEISuzuki and Maeda, 1977, 2LLK
C2H3+15.22 ± 0.10H2+HEID'Or, Collin, et al., 1966RDSH
C2H4+11. ± 1.H2PIAu, Cooper, et al., 1993LL
C2H4+11.81 ± 0.05H2EIPlessis and Marmet, 1987, 2LBLHLM
C2H4+12.1 ± 0.4H2EIChatham, Hils, et al., 1984LBLHLM
C2H4+12.1 ± 0.1H2PIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H4+12.1 ± 0.1H2EISuzuki and Maeda, 1977, 2LLK
C2H4+12.08 ± 0.03H2PIChupka and Berkowitz, 1967RDSH
C2H4+12.24 ± 0.10H2EID'Or, Collin, et al., 1966RDSH
C2H5+12. ± 1.HPIAu, Cooper, et al., 1993LL
C2H5+12.45 ± 0.008HEIPlessis and Marmet, 1987, 2LBLHLM
C2H5+12.1 ± 0.4HEIChatham, Hils, et al., 1984LBLHLM
C2H5+12.4 ± 0.1HPIPECOBombach, Dannacher, et al., 1984T = 0K; LBLHLM
C2H5+12.40HPITraeger and McLoughlin, 1981LLK
C2H5+12.0 ± 0.1HEISuzuki and Maeda, 1977, 2LLK
C2H5+12.66 ± 0.05HEIWilliams and Hamill, 1968RDSH
C2H5+12.00 ± 0.05H-PIChupka and Berkowitz, 1967RDSH
C2H5+12.65 ± 0.08HPIChupka and Berkowitz, 1967RDSH
H+21. ± 1.?PIAu, Cooper, et al., 1993LL
H+23.5 ± 0.5?EISuzuki and Maeda, 1977, 2LLK
H2+30. ± 1.?PIAu, Cooper, et al., 1993LL
H2+35.0 ± 0.5?EISuzuki and Maeda, 1977, 2LLK
H2+31. ± 1.C2H4+?EINewton, Sciamanna, et al., 1970RDSH
H3+33. ± 1.?PIAu, Cooper, et al., 1993LL
H3+32. ± 1.?EIFuchs, 1972LLK

De-protonation reactions

C2H5- + Hydrogen cation = Ethane

By formula: C2H5- + H+ = C2H6

Quantity Value Units Method Reference Comment
Δr420.1 ± 2.0kcal/molBranDePuy, Gronert, et al., 1989gas phase; B
Δr421.0 ± 2.0kcal/molBranDePuy, Bierbaum, et al., 1984gas phase; B
Quantity Value Units Method Reference Comment
Δr411.7 ± 2.1kcal/molH-TSDePuy, Gronert, et al., 1989gas phase; B

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.

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]

Au, Cooper, et al., 1993
Au, J.W.; Cooper, G.; Brion, C.E., The molecular and dissociative photoionization of ethane, propane, and n-butane: Absolute oscillator strengths (10-80 eV) and breakdown pathways, Chem. Phys., 1993, 173, 241. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Plessis and Marmet, 1987
Plessis, P.; Marmet, P., Electroionization study of ethane: structures in the ionization and appearance energy curves, Can. J. Chem., 1987, 65, 2004. [all data]

Plessis and Marmet, 1987, 2
Plessis, P.; Marmet, P., Electroionization study of ethane: Ionization and appearance energies, ion-pair formations and negative ions, Can. J. Chem., 1987, 65, 1424. [all data]

Chatham, Hils, et al., 1984
Chatham, H.; Hils, D.; Robertson, R.; Gallagher, A., Total and partial electron collisional ionization cross sections for CH4, C2H6, SiH4, and Si2H6, J. Chem. Phys., 1984, 81, 1770. [all data]

Suzuki and Maeda, 1977
Suzuki, I.H.; Maeda, K., Ionization efficiency curves of ethane by electron impact, Int. J. Mass Spectrom. Ion Phys., 1977, 24, 147. [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]

Flesch and Svec, 1973
Flesch, G.D.; Svec, H.J., Fragmentation reactions in the mass spectrometer for C2-C5 alkanes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1187. [all data]

Stockbauer and Inghram, 1971
Stockbauer, R.; Inghram, M.G., Experimental relative Franck-Condon factors for the ionization of methane, ethane, and propane, J. Chem. Phys., 1971, 54, 2242. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [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]

Cermak, 1968
Cermak, V., Penning ionization electron spectroscopy, Advan. Mass Spectrom., 1968, 4, 697. [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]

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

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]

Doucet, Sauvageau, et al., 1975
Doucet, J.; Sauvageau, P.; Sandorfy, C., Photoelectron far-ultraviolet absorption spectra of chlorofluoro derivatives of ethane, J. Chem. Phys., 1975, 62, 355. [all data]

Suzuki and Maeda, 1977, 2
Suzuki, I.H.; Maeda, K., Behavior of hydrogen atoms in the fragmentation of CH3CD3, Can. J. Chem., 1977, 55, 3124. [all data]

D'Or, Collin, et al., 1966
D'Or, L.; Collin, J.E.; Longree, J., Ionisation et dissociation de l'ethane sous l'impact electronique. Spectres de masse et phenomenes d'echange dans C2H6, C2H5D, CH3CD3 et C2D6, Bull. Classe Sci. Acad. Roy. Belg., 1966, 52, 518. [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]

Chupka and Berkowitz, 1967
Chupka, W.A.; Berkowitz, J., Photoionization of ethane, propane, and n-butane with mass analysis, J. Chem. Phys., 1967, 47, 2921. [all data]

Traeger and McLoughlin, 1981
Traeger, J.C.; McLoughlin, R.G., Absolute heats of formation for gas phase cations, J. Am. Chem. Soc., 1981, 103, 3647. [all data]

Newton, Sciamanna, et al., 1970
Newton, A.S.; Sciamanna, A.F.; Thomas, G.E., The occurrence of the H3+ ion in the mass spectra of organic compounds, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 465. [all data]

Fuchs, 1972
Fuchs, R., Die kinetische energie ionisierter molekulfragmente VII. H3 ALS fragmention bei der elektronenstrossionisierung von kohlenwasserstoffen, Int. J. Mass Spectrom. Ion Processes, 1972, 8, 193. [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]

DePuy, Bierbaum, et al., 1984
DePuy, C.H.; Bierbaum, V.M.; Damrauer, R., Relative Gas-Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1984, 106, 4051. [all data]


Notes

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