1,3-Cyclopentanedione
- Formula: C5H6O2
- Molecular weight: 98.0999
- IUPAC Standard InChI: InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
- IUPAC Standard InChIKey: LOGSONSNCYTHPS-UHFFFAOYSA-N
- CAS Registry Number: 3859-41-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1,3-Cyclopentadione; cyclopentane-1,3-dione
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Reaction thermochemistry data
Go To: Top, 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
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
C5H5O2- + =
By formula: C5H5O2- + H+ = C5H6O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1395. ± 8.8 | kJ/mol | G+TS | Mishima, Matsuoka, et al., 2004 | gas phase; Calc: keto form of acid more stable. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1366. ± 8.4 | kJ/mol | IMRE | Mishima, Matsuoka, et al., 2004 | gas phase; Calc: keto form of acid more stable. |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mishima, Matsuoka, et al., 2004
Mishima, M.; Matsuoka, M.; Lei, Y.X.; Rappoport, Z.,
Gas-phase acidities of disubstituted methanes and of enols of carboxamides substituted by electron-withdrawing groups,
J. Org. Chem., 2004, 69, 18, 5947-5965, https://doi.org/10.1021/jo040196b
. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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