Ethanol-1,1-d2
- Formula: C2H4D2O
- Molecular weight: 48.0808
- IUPAC Standard InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i2D2
- IUPAC Standard InChIKey: LFQSCWFLJHTTHZ-CBTSVUPCSA-N
- CAS Registry Number: 1859-09-2
- Chemical structure:
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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
C2H3D5O- + =
By formula: C2H3D5O- + H+ = C2H4D2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1580. ± 9.2 | kJ/mol | G+TS | Dang, Motell, et al., 1993 | gas phase; Acidity 0.35±0.15 weaker than CH3CH2OH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1553. ± 8.8 | kJ/mol | CIDC | Dang, Motell, et al., 1993 | gas phase; Acidity 0.35±0.15 weaker than CH3CH2OH |
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.
Dang, Motell, et al., 1993
Dang, T.T.; Motell, E.L.; Travers, M.J.; Clifford, E.P.; Ellison, G.B.; Depuy, C.H.; Bierbaum, V.M.,
Experimental and Computational Studies of Deuterated Ethanols - Gas-Phase Acidities, Electron Affinities and Bond Dissociation Energies,
Int. J. Mass Spectrom. Ion Proc., 1993, 123, 3, 171, https://doi.org/10.1016/0168-1176(93)87096-B
. [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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