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
Go To: Top, Gas phase ion energetics data, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual 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 |
| 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 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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
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, Reaction thermochemistry data, 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]
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]
Notes
Go To: Top, Reaction thermochemistry data, 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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