2-Propanone, 1-(acetyloxy)-
- Formula: C5H8O3
- Molecular weight: 116.1152
- IUPAC Standard InChIKey: DBERHVIZRVGDFO-UHFFFAOYSA-N
- CAS Registry Number: 592-20-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Propanone, 1-hydroxy-, acetate; Acetol acetate; Acetonyl acetate; Acetoxyacetone; Acetoxypropanone; Acetylmethyl acetate; O-Acetylacetol; 1-Acetoxy-2-propanone; 1-Acetoxyacetone; 1-Hydroxy-2-propanone acetate; 2-Oxopropyl acetate; 1-(Acetyloxy)-2-propanone; 1-Acetoxy-propan-2-one; 1-Acetyloxy-propan-2-one; Acetoxy-2-propanone; NSC 2298; NSC 7614; Hydroxyacetone, acetate
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Reaction thermochemistry 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: 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
C5H7O3- + =
By formula: C5H7O3- + H+ = C5H8O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 350.3 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 343.3 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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: John E. Bartmess
De-protonation reactions
C5H7O3- + =
By formula: C5H7O3- + H+ = C5H8O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 350.3 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 343.3 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase |
Mass spectrum (electron ionization)
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
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. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-9351 |
NIST MS number | 236823 |
References
Go To: Top, Reaction thermochemistry 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.
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
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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