miPr-benzoate anion


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: John E. Bartmess

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Individual Reactions

C10H11O2- + Hydrogen cation = Benzoic acid, 3-(1-methylethyl)-

By formula: C10H11O2- + H+ = C10H12O2

Quantity Value Units Method Reference Comment
Δr339.5 ± 2.2kcal/molG+TSFiedler, Kulhanek, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Δr332.4 ± 2.0kcal/molIMREFiedler, Kulhanek, et al., 1999gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry 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: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
3.77 ± 0.16D-EAFiedler, Kulhanek, et al., 1999 

Protonation reactions

C10H11O2- + Hydrogen cation = Benzoic acid, 3-(1-methylethyl)-

By formula: C10H11O2- + H+ = C10H12O2

Quantity Value Units Method Reference Comment
Δr339.5 ± 2.2kcal/molG+TSFiedler, Kulhanek, et al., 1999gas phase
Quantity Value Units Method Reference Comment
Δr332.4 ± 2.0kcal/molIMREFiedler, Kulhanek, et al., 1999gas phase

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.

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

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