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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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 as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H4DO+ | 10.8 | D | PI | Potapov and Sorokin, 1970 | RDSH |
De-protonation reactions
C2H3D5O- + =
By formula: C2H3D5O- + H+ = C2H4D2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 377.7 ± 2.2 | kcal/mol | G+TS | Dang, Motell, et al., 1993 | gas phase; Acidity 0.35±0.15 weaker than CH3CH2OH; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 371.1 ± 2.1 | kcal/mol | CIDC | Dang, Motell, et al., 1993 | gas phase; Acidity 0.35±0.15 weaker than CH3CH2OH; B |
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.
Potapov and Sorokin, 1970
Potapov, V.K.; Sorokin, V.V.,
Investigation of molecular-ion reactions upon photoionization of methanol and ethanol,
Dokl. Akad. Nauk SSSR, 1970, 192, 590, In original 412. [all data]
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, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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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