C8H7NO4
- Formula: C8H7NO4
- Molecular weight: 181.1455
- CAS Registry Number: 57440-84-3
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Reaction thermochemistry data
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: John E. Bartmess
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Individual Reactions
C8H6NO4- + = C8H7NO4
By formula: C8H6NO4- + H+ = C8H7NO4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 314.8 ± 3.2 | kcal/mol | D-EA | Wang, Broadus, et al., 2000 | gas phase; Vertical Detachment Energy: 5.02±0.05 eV |
| ΔrH° | 311.6 ± 5.1 | kcal/mol | G+TS | Broadus and Kass, 2000 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 307.4 ± 3.3 | kcal/mol | H-TS | Wang, Broadus, et al., 2000 | gas phase; Vertical Detachment Energy: 5.02±0.05 eV |
| ΔrG° | 304.3 ± 5.0 | kcal/mol | IMRB | Broadus and Kass, 2000 | gas 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
De-protonation reactions
C8H6NO4- + = C8H7NO4
By formula: C8H6NO4- + H+ = C8H7NO4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 314.8 ± 3.2 | kcal/mol | D-EA | Wang, Broadus, et al., 2000 | gas phase; Vertical Detachment Energy: 5.02±0.05 eV |
| ΔrH° | 311.6 ± 5.1 | kcal/mol | G+TS | Broadus and Kass, 2000 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 307.4 ± 3.3 | kcal/mol | H-TS | Wang, Broadus, et al., 2000 | gas phase; Vertical Detachment Energy: 5.02±0.05 eV |
| ΔrG° | 304.3 ± 5.0 | kcal/mol | IMRB | Broadus and Kass, 2000 | gas 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.
Wang, Broadus, et al., 2000
Wang, X.B.; Broadus, K.M.; Wang, L.S.; Kass, S.R.,
Photodetachment of the first zwitterionic anions in the gas phase: Probing intramolecular Coulomb repulsion and attraction,
J. Am. Chem. Soc., 2000, 122, 34, 8305-8306, https://doi.org/10.1021/ja001943z
. [all data]
Broadus and Kass, 2000
Broadus, K.M.; Kass, S.R.,
Probing Electrostatic Effects: Formation and Characterization of Zwitterionic Ions and their Neutral Counterparts in the Gas Phase,
J. Am. Chem. Soc., 2000, 122, 37, 9014, https://doi.org/10.1021/ja0016708
. [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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