4-Octyne

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Reaction thermochemistry data

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2Hydrogen + 4-Octyne = Octane

By formula: 2H2 + C8H14 = C8H18

Quantity Value Units Method Reference Comment
Δr-64.22 ± 0.26kcal/molChydRogers, Dagdagan, et al., 1979liquid phase; solvent: Hexane
Δr-62.80 ± 0.16kcal/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid
Δr-62.8kcal/molChydSicher, Svoboda, et al., 1966liquid phase; solvent: Acetic acid

Gas phase ion energetics data

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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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)9.20 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.20 ± 0.02PIRang and Martinson, 1978LLK
9.196 ± 0.005PECarlier, Dubois, et al., 1975LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H7+9.7C3H7EIWagner-Redeker, Levsen, et al., 1981LLK
C6H9+9.9C2H5EIWagner-Redeker, Levsen, et al., 1981LLK
C7H11+9.6CH3EIWagner-Redeker, Levsen, et al., 1981LLK

References

Go To: Top, Reaction thermochemistry data, 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.

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J., Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins, J. Am. Chem. Soc., 1973, 95, 790-792. [all data]

Sicher, Svoboda, et al., 1966
Sicher, J.; Svoboda, M.; Zavada, J.; Turner, R.B.; Goebel, P., Sterochemical studies - XXXVI. An approach to conformational analysis of medium ring compounds. Unsaturated ten-membered ring derivates, Tetrahedron, 1966, 22, 659-671. [all data]

Rang and Martinson, 1978
Rang, S.; Martinson, E., Ionization potentials of unsaturated hydrocarbons. 3. n-Alkyunes C8-C12., Eesti. NSV Tead. Akad. Toim. Keem., 1978, 44. [all data]

Carlier, Dubois, et al., 1975
Carlier, P.; Dubois, J.E.; Masclet, P.; Mouvier, G., Spectres de photoelectrons des alcynes, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 55. [all data]

Wagner-Redeker, Levsen, et al., 1981
Wagner-Redeker, W.; Levsen, K.; Schwarz, H.; Zummack, W., Gaseous alkyne ions, J. Am. Chem. Soc., 1981, 16, 361. [all data]


Notes

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