Butanenitrile, 4-oxo-
- Formula: C4H5NO
- Molecular weight: 83.0886
- IUPAC Standard InChI: InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2
- IUPAC Standard InChIKey: CGFGIKNLZTZJDE-UHFFFAOYSA-N
- CAS Registry Number: 3515-93-3
- 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: Propanal, 3-cyano-; β-Cyanopropionaldehyde; 3-formylpropiononitrile
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Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 12.8 ± 1.5 | kJ/mol | Ccb | Nurullaev and Karasharli, 1981 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2301.5 ± 1.5 | kJ/mol | Ccb | Nurullaev and Karasharli, 1981 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 195.9 | 300. | Dzhafarov, Karasharli, et al., 1979 | T = 55 to 300 K.; DH |
Phase change 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: Eugene S. Domalski and Elizabeth D. Hearing
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 140. | crystaline, II | crystaline, I | Dzhafarov, Karasharli, et al., 1979 | |
| 230. | crystaline, I | liquid | Dzhafarov, Karasharli, et al., 1979 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nurullaev and Karasharli, 1981
Nurullaev, G.G.; Karasharli, K.A.,
Thermochemical study of β-cyanopropionaldehyde dimethyl acetal and methyl α-cyanopropinate,
Azerb. Khim. Zh., 1981, 140-144. [all data]
Dzhafarov, Karasharli, et al., 1979
Dzhafarov, O.I.; Karasharli, K.A.; Kuliev, A.M.,
Study of true heat capacity of β-cyanopropionaldehyde at 55-320 K,
Azerb. Khim. Zhur., 1979, 5, 112-114. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Ttrs Temperature of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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