C7H9N5
- Formula: C7H9N5
- Molecular weight: 163.1799
- CAS Registry Number: 2715-68-6
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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
C7H8N5- + = C7H9N5
By formula: C7H8N5- + H+ = C7H9N5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 351.1 ± 4.1 | kcal/mol | G+TS | Sharma and Lee, 2002 | gas phase; between mMe-phenol and pCF3-aniline |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 344.0 ± 4.0 | kcal/mol | IMRB | Sharma and Lee, 2002 | gas phase; between mMe-phenol and pCF3-aniline |
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
De-protonation reactions
C7H8N5- + = C7H9N5
By formula: C7H8N5- + H+ = C7H9N5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 351.1 ± 4.1 | kcal/mol | G+TS | Sharma and Lee, 2002 | gas phase; between mMe-phenol and pCF3-aniline |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 344.0 ± 4.0 | kcal/mol | IMRB | Sharma and Lee, 2002 | gas phase; between mMe-phenol and pCF3-aniline |
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.
Sharma and Lee, 2002
Sharma, S.; Lee, J.K.,
Acidity of adenine and adenine derivatives and biological implications. A computational and experimental gas-phase study,
J. Org. Chem., 2002, 67, 24, 8360-8365, https://doi.org/10.1021/jo0204303
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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