Acetaldehyde, hydroxy-
- Formula: C2H4O2
- Molecular weight: 60.0520
- IUPAC Standard InChIKey: WGCNASOHLSPBMP-UHFFFAOYSA-N
- CAS Registry Number: 141-46-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Glycolaldehyde; Diose; Glycolic aldehyde; Hydroxyacetaldehyde; Methylol formaldehyde; Monomethylolformaldehyde; HOCH2CHO; Glycoaldehyde; NSC 67935; glycollaldehyde
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Phase change 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
17. ± 1. | 288. | Petitjean, Reyes-Perez, et al., 2010 | Based on data from 273. to 304. K. |
Gas phase ion energetics data
Go To: Top, Phase change 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
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C2H4O2+ (ion structure unspecified)
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3O+ | 10.86 ± 0.05 | HCO | EI | Holmes and Lossing, 1984 | LBLHLM |
CH4O+[CH2OH2+] | 10.42 ± 0.05 | CO | EI | Holmes, Lossing, et al., 1982 | LBLHLM |
De-protonation reactions
C2H3O2- + =
By formula: C2H3O2- + H+ = C2H4O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | >367.0 ± 2.0 | kcal/mol | IMRB | Dawson and Nibbering, 1980 | gas phase; G3MP2B3 calculations put dGacid ca. 353 kcal/mol; B |
References
Go To: Top, Phase change 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.
Petitjean, Reyes-Perez, et al., 2010
Petitjean, M.; Reyes-Perez, E.; Perez, D.; Mirabel, Ph.; Le Calve, S.,
Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K,
J. Chem. Eng. Data, 2010, 55, 2, 852-855, https://doi.org/10.1021/je9004905
. [all data]
Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P.,
Heats of formation of organic radicals from appearance energies,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]
Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C.,
The radical cation [CH2OH2]+ and related stable gas phase ion-dipole complexes,
J. Am. Chem. Soc., 1982, 104, 2931. [all data]
Dawson and Nibbering, 1980
Dawson, J.H.J.; Nibbering, N.M.M.,
The gas phase anionic chemistry of saturated and unsaturated aliphatic nitriles,
Int. J. Mass Spectrom. Ion Phys., 1980, 33, 3. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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