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Benzoic acid, p-tert-butyl-

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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
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

Ionization energy determinations

IE (eV) Method Reference Comment
8.94PITakhistov, Misharev, et al., 1995LL
8.94 ± 0.02EIOrlov, Misharev, et al., 1986LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C10H11O2+9.62CH3PITakhistov, Misharev, et al., 1995LL
C10H11O2+9.8 ± 0.1CH3EIOrlov, Misharev, et al., 1986LBLHLM
C11H13O+[(CH3)3CC6H4CO+]9.59OHESTTakhistov, Misharev, et al., 1995LL

De-protonation reactions

C11H13O2- + Hydrogen cation = Benzoic acid, p-tert-butyl-

By formula: C11H13O2- + H+ = C11H14O2

Quantity Value Units Method Reference Comment
Deltar1423. ± 9.2kJ/molG+TSKulhanek, Decouzon, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar1393. ± 8.4kJ/molIMREKulhanek, Decouzon, et al., 1999gas 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.

Takhistov, Misharev, et al., 1995
Takhistov, V.V.; Misharev, A.D.; Orlov, V.M.; Ponomarev, D.A.; Voss, J., Thermochemistry and mass spectrometry of aromatic compounds with tertiary alkyl groups, Eur. Mass Spectrom., 1995, 1, 353. [all data]

Orlov, Misharev, et al., 1986
Orlov, V.; Misharev, A.; Takhistox, V., Determination of the enthalpy of formation of para-substituted «alpha»,«alpha»-dimethyl cations in the gas phase, Izv. Akad. Nauk SSSR Ser. Khim., 1986, 9, 2006. [all data]

Kulhanek, Decouzon, et al., 1999
Kulhanek, J.; Decouzon, M.; Gal, J.F.; Maria, P.C.; Fiedler, P.; Jimenez, P.; Roux, M.V.; Exner, O., Steric effects and steric hindrance to resonance in tert-butylbenzoic acids in the gas phase and in solution, Eur. J. Org., 1999, Chem., 7, 1589-1594, https://doi.org/10.1002/(SICI)1099-0690(199907)1999:7<1589::AID-EJOC1589>3.0.CO;2-S . [all data]


Notes

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