Bicyclo(3.2.1)oct-2-ene


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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C8H11- + Hydrogen cation = Bicyclo(3.2.1)oct-2-ene

By formula: C8H11- + H+ = C8H12

Quantity Value Units Method Reference Comment
Δr1634.4 ± 3.6kJ/molG+TSLee and Squires, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr1603.7 ± 2.5kJ/molIMRELee and Squires, 1986gas phase; B

Hydrogen + Bicyclo(3.2.1)oct-2-ene = Bicyclo[3.2.1]octane

By formula: H2 + C8H12 = C8H14

Quantity Value Units Method Reference Comment
Δr-112.3 ± 0.46kJ/molChydTurner, Jarrett, et al., 1973liquid phase; solvent: Acetic acid; ALS

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 compiled as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C8H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.76 ± 0.02PIDemeo and El-Sayed, 1970RDSH

De-protonation reactions

C8H11- + Hydrogen cation = Bicyclo(3.2.1)oct-2-ene

By formula: C8H11- + H+ = C8H12

Quantity Value Units Method Reference Comment
Δr1634.4 ± 3.6kJ/molG+TSLee and Squires, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr1603.7 ± 2.5kJ/molIMRELee and Squires, 1986gas phase; B

IR Spectrum

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 113164

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References

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

Lee and Squires, 1986
Lee, R.E.; Squires, R.R., Anionic homoaromaticity: A gas phase experimental study, J. Am. Chem. Soc., 1986, 105, 5078. [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]

Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A., Ionization potential and structure of olefins, J. Chem. Phys., 1970, 52, 2622. [all data]


Notes

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