- Formula: C4H6O
- Molecular weight: 70.0898
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: SHQSVMDWKBRBGB-UHFFFAOYSA-N
- CAS Registry Number: 1191-95-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C4H5O- + =
By formula: C4H5O- + H+ = C4H6O
|rH°||1536. ± 17.||kJ/mol||G+TS||Brickhouse and Squires, 1988||gas phase; Between Me2C=NOH, EtCHO; B|
|rG°||1502. ± 17.||kJ/mol||IMRB||Brickhouse and Squires, 1988||gas phase; Between Me2C=NOH, EtCHO; B|
By formula: C4H6O + H2 = C4H8O
|rH°||-67.91 ± 0.75||kJ/mol||Chyd||Wiberg, Crocker, et al., 1991||liquid phase; ALS|
|rH°||-53. ± 1.||kJ/mol||Chyd||Wiberg, Crocker, et al., 1991||gas phase; ALS|
+ = + 2
By formula: C6H12O2 + H2O = C4H6O + 2CH4O
|rH°||25.4 ± 0.3||kJ/mol||Cm||Wiberg, Morgan, et al., 1994||liquid phase; ALS|
+ 2 = +
By formula: C4H6O + 2CH4O = C6H12O2 + H2O
|rH°||-52.7 ± 1.7||kJ/mol||Cm||Wiberg, Morgan, et al., 1994||gas phase; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Brickhouse and Squires, 1988
Brickhouse, M.D.; Squires, R.R., Gas Phase Bronsted vs. Lewis Acid-Base Reactions of 6,6-Dimethylfulvene. A Sensitive Probe of the Electronic Structures of Organic Anions, J. Am. Chem. Soc., 1988, 110, 9, 2706, https://doi.org/10.1021/ja00217a002 . [all data]
Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]
Wiberg, Morgan, et al., 1994
Wiberg, K.B.; Morgan, K.M.; Maltz, H., Thermochemistry of carbonyl reactions. 6. A study of hydration equilibria, J. Am. Chem. Soc., 1994, 116, 11067-11077. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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