mCN-C6H4CH2 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

C8H6N- + Hydrogen cation = Benzonitrile, 3-methyl-

By formula: C8H6N- + H+ = C8H7N

Quantity Value Units Method Reference Comment
Δr369.2 ± 2.1kcal/molG+TSCaldwell and Bartmessgas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr362.1 ± 2.0kcal/molIMRECaldwell and Bartmessgas phase; value altered from reference due to change in acidity scale

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

Protonation reactions

C8H6N- + Hydrogen cation = Benzonitrile, 3-methyl-

By formula: C8H6N- + H+ = C8H7N

Quantity Value Units Method Reference Comment
Δr369.2 ± 2.1kcal/molG+TSCaldwell and Bartmessgas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr362.1 ± 2.0kcal/molIMRECaldwell and Bartmessgas phase; value altered from reference due to change in acidity scale

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.

Caldwell and Bartmess
Caldwell, G.; Bartmess, J.E., , Unpublished results. [all data]


Notes

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