CAS Reg. No. 77213-00-4
- CAS Registry Number: 77213-00-4
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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
(CAS Reg. No. 77213-00-4 • 4294967295) +
= CAS Reg. No. 77213-00-4
By formula: (CAS Reg. No. 77213-00-4 • 4294967295C2H2O) + C2H2O = CAS Reg. No. 77213-00-4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 43.2 ± 3.9 | kcal/mol | N/A | Marks, Brauman, et al., 1988 | gas phase |
| ΔrH° | 44.7 ± 3.9 | kcal/mol | Ther | Farid and McMahon, 1980 | gas phase; Between MeCOCH2F, cyclopentadiene; value altered from reference due to change in acidity scale |
| ΔrH° | 44.5 ± 3.9 | kcal/mol | N/A | Wenthold and Squires, 1995 | gas phase; Re-evaluation of literature thermo cycle |
| ΔrH° | 35.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 27.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable. |
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.
Marks, Brauman, et al., 1988
Marks, J.; Brauman, J.I.; Mead, R.D.; Lykke, K.R.; Lineberger, W.C.,
Spectroscopy and Dynamics of the Dipole Supported State of Acetyl Fluoride Enolate Anion,
J. Chem. Phys., 1988, 88, 11, 6785, https://doi.org/10.1063/1.454424
. [all data]
Farid and McMahon, 1980
Farid, R.; McMahon, T.B.,
The gas phase acidities of fluorinated acetones. An ICR investigation of the role of fluorine substituents in the stabilization of planar carbanions,
Can. J. Chem., 1980, 58, 2307. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034
. [all data]
Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
J. Am. Chem. Soc., 1983, 105, 2944. [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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