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, Mass spectrum (electron ionization), 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 (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
70. ± 5. | 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, Mass spectrum (electron ionization), 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° | >1536. ± 8.4 | kJ/mol | IMRB | Dawson and Nibbering, 1980 | gas phase; G3MP2B3 calculations put dGacid ca. 353 kcal/mol; B |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 161 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), 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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