Methyl acetylglycinate
- Formula: C5H9NO3
- Molecular weight: 131.1299
- IUPAC Standard InChI: InChI=1S/C5H9NO3/c1-4(7)6-3-5(8)9-2/h3H2,1-2H3,(H,6,7)
- IUPAC Standard InChIKey: RFNODQARGNZURK-UHFFFAOYSA-N
- CAS Registry Number: 1117-77-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Methyl N-acetylglycinate; Methyl N-acetylglycine; N-Acetylglycine methyl ester; CH3C(O)NHCH2C(O)OCH3; Acetylglycine, methyl ester
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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: C4H5N2+ + C5H9NO3 = (C4H5N2+ • C5H9NO3)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 34.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 38.4 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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 evaluated by: Edward P. Hunter and Sharon G. Lias
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 213.2 | kcal/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 206. | kcal/mol | N/A | Hunter and Lias, 1998 |
Gas Chromatography
Go To: Top, Reaction thermochemistry 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-1 | 1090. | Ramsdell and Tanaka, 1977 | N2, Anakrom, 4. K/min; Column length: 2. m; Tstart: 80. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1137.6 | 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, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Meot-Ner, 1984
Meot-Ner, (Mautner),
The Ionic Hydrogen Bond. 4. Intramolecular and Multiple Bonds. Proton Affinities, Hydration and Complexes of Amides and Amino Acid Derivatives,
J. Am. Chem. Soc., 1984, 106, 2, 278, https://doi.org/10.1021/ja00314a003
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Ramsdell and Tanaka, 1977
Ramsdell, H.S.; Tanaka, K.,
Gas chromatographic studies of twenty metabolically important acylglycines,
Clin. Chim. Acta, 1977, 74, 2, 109-114, https://doi.org/10.1016/0009-8981(77)90211-X
. [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, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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