pNO2-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

C7H4NO4- + Hydrogen cation = Benzoic acid, 4-nitro-

By formula: C7H4NO4- + H+ = C7H5NO4

Quantity Value Units Method Reference Comment
Δr328.1 ± 2.2kcal/molG+TSTaft and Bordwell, 1988gas phase
Quantity Value Units Method Reference Comment
Δr321.1 ± 2.0kcal/molIMRETaft and Bordwell, 1988gas phase

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

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
4.27 ± 0.16D-EATaft and Bordwell, 1988 

Protonation reactions

C7H4NO4- + Hydrogen cation = Benzoic acid, 4-nitro-

By formula: C7H4NO4- + H+ = C7H5NO4

Quantity Value Units Method Reference Comment
Δr328.1 ± 2.2kcal/molG+TSTaft and Bordwell, 1988gas phase
Quantity Value Units Method Reference Comment
Δr321.1 ± 2.0kcal/molIMRETaft and Bordwell, 1988gas phase

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.

Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G., Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase, Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005 . [all data]


Notes

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