Acetyl cyanide
- Formula: C3H3NO
- Molecular weight: 69.0620
- IUPAC Standard InChI: InChI=1S/C3H3NO/c1-3(5)2-4/h1H3
- IUPAC Standard InChIKey: QLDHWVVRQCGZLE-UHFFFAOYSA-N
- CAS Registry Number: 631-57-2
- 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: Pyruvonitrile; Propanenitrile, 2-oxo-; α-Oxopropionitrile; Oxopropionitrile; Oxypropionitrile; Pyruvic acid nitrile; 2-Oxopropionitrile; CH3C(O)CN; 2-Oxopropanenitrile; 2-Oxopropiononitrile
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Reaction thermochemistry data
Go To: Top, 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
C3H2NO- + =
By formula: C3H2NO- + H+ = C3H3NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1441. ± 8.8 | kJ/mol | G+TS | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1413. ± 8.4 | kJ/mol | IMRE | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale |
| ΔrG° | 1432. ± 21. | kJ/mol | IMRB | Brauman and Blair, 1968 | gas phase |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Taft, 1987
Taft, R.W.,
The Nature and Analysis of Substitutent Electronic Effects,
Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Brauman and Blair, 1968
Brauman, J.I.; Blair, L.K.,
Gas Phase Acidities of Carbon Acids,
J. Am. Chem. Soc., 1968, 90, 20, 5636, https://doi.org/10.1021/ja01022a073
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, 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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