Benzoic acid, 4-(1-methylethyl)-

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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 by: John E. Bartmess

De-protonation reactions

C10H11O2- + Hydrogen cation = Benzoic acid, 4-(1-methylethyl)-

By formula: C10H11O2- + H+ = C10H12O2

Quantity Value Units Method Reference Comment
Δr340.2 ± 2.2kcal/molG+TSFiedler, Kulhanek, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Δr333.1 ± 2.0kcal/molIMREFiedler, Kulhanek, et al., 1999gas phase

Mass spectrum (electron ionization)

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

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

Benzoic acid, 4-(1-methylethyl)-

Mass Spectrum

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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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 Japan AIST/NIMC Database- Spectrum MS-NW-3873
NIST MS number 232278

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References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Fiedler, Kulhanek, et al., 1999
Fiedler, P.; Kulhanek, J.; Decouzon, M.; Gal, J.F.; Maria, P.C.; Exner, O., Steric effects and steric inhibition of resonance in isopropylbenzoic acids in the gas phase and in solution, Coll. Czech. Chem. Commun., 1999, 64, 9, 1433-1447, https://doi.org/10.1135/cccc19991433 . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References