C2H3D3O
- Formula: C2H3D3O
- Molecular weight: 49.0869
- IUPAC Standard InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3
- IUPAC Standard InChIKey: LFQSCWFLJHTTHZ-FIBGUPNXSA-N
- CAS Registry Number: 1759-87-1
- Chemical structure:
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Gas phase ion energetics 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
De-protonation reactions
C2H2D5O- + =
By formula: C2H2D5O- + H+ = C2H3D3O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 377.6 ± 2.3 | kcal/mol | G+TS | Dang, Motell, et al., 1993 | gas phase; CIDC in SIFT at 30 V: 0.20 ± 0.15 kcal/mol weaker than protio |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 371.0 ± 2.2 | kcal/mol | CIDC | Dang, Motell, et al., 1993 | gas phase; CIDC in SIFT at 30 V: 0.20 ± 0.15 kcal/mol weaker than protio |
References
Go To: Top, 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.
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
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- 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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