C7H6O
- Formula: C7H6O
- Molecular weight: 106.1219
- CAS Registry Number: 135263-20-6
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C7H5O- + = C7H6O
By formula: C7H5O- + H+ = C7H6O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1435. ± 11. | kJ/mol | G+TS | Hu, Hill, et al., 1997 | gas phase; Calculations imply singlet carbene in anion, triplet in phenol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1406. ± 10. | kJ/mol | CIDC | Hu, Hill, et al., 1997 | gas phase; Calculations imply singlet carbene in anion, triplet in phenol |
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
View reactions leading to C7H6O+ (ion structure unspecified)
De-protonation reactions
C7H5O- + = C7H6O
By formula: C7H5O- + H+ = C7H6O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1435. ± 11. | kJ/mol | G+TS | Hu, Hill, et al., 1997 | gas phase; Calculations imply singlet carbene in anion, triplet in phenol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1406. ± 10. | kJ/mol | CIDC | Hu, Hill, et al., 1997 | gas phase; Calculations imply singlet carbene in anion, triplet in phenol |
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.
Hu, Hill, et al., 1997
Hu, J.; Hill, B.T.; Squires, R.R.,
New Approach to Carbene Chemistry, via Distonic Carbene Ions. A Case of Spin-Forbidden Proton Transfer and Carbene-Biradical Tautomerism,
J. Am. Chem. Soc., 1997, 119, 48, 11699, https://doi.org/10.1021/ja9727070
. [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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