Glycine, N-acetyl-
- Formula: C4H7NO3
- Molecular weight: 117.1033
- IUPAC Standard InChI: InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
- IUPAC Standard InChIKey: OKJIRPAQVSHGFK-UHFFFAOYSA-N
- CAS Registry Number: 543-24-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Aceturic acid; Acetamidoacetic acid; Acetylaminoacetic acid; Acetylglycine; Acetylglycocoll; Ethanoylaminoethanoic acid; N-Acetylglycine; CH3CONHCH2COOH; 2-(Acetylamino)acetic acid; 2-Acetamidoacetic acid; NSC 7605
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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: Robert C. Dunbar
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
+
= (
•
)
By formula: Na+ + C4H7NO3 = (Na+ • C4H7NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 41.1 ± 1.7 | kcal/mol | CIDC | Cerda, Hoyau, et al., 1998 |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference |
|---|---|---|---|
| 30.8 | 0. | CIDC | Feng, Gronert, et al., 1999 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.4 | PE | Cannington and Ham, 1983 | LBLHLM |
| 9.8 | PE | Cannington and Ham, 1983 | Vertical value; LBLHLM |
Ion clustering 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: Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: Na+ + C4H7NO3 = (Na+ • C4H7NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 41.1 ± 1.7 | kcal/mol | CIDC | Cerda, Hoyau, et al., 1998 |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference |
|---|---|---|---|
| 30.8 | 0. | CIDC | Feng, Gronert, et al., 1999 |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1382.2 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cerda, Hoyau, et al., 1998
Cerda, B.A.; Hoyau, S.; Ohanessian, G.; Wesdemiotis, C.,
PAs of Peptides,
J. Am. Chem. Soc., 1998, 120, 2437. [all data]
Feng, Gronert, et al., 1999
Feng, W.Y.; Gronert, S.; Lebrilla, C.B.,
Lithium and sodium ion binding energies of N-acetyl and N-glycyl amino acids,
J. Am. Chem. Soc., 1999, 121, 6, 1365, https://doi.org/10.1021/ja983116s
. [all data]
Cannington and Ham, 1983
Cannington, P.H.; Ham, N.S.,
He(I) and He(II) photoelectron spectra of glycine and related molecules,
J. Electron Spectrosc. Relat. Phenom., 1983, 32, 139. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References
- Symbols used in this document:
T Temperature 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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