Benzenepropanenitrile, β-oxo-
- Formula: C9H7NO
- Molecular weight: 145.1580
- IUPAC Standard InChI: InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
- IUPAC Standard InChIKey: ZJRCIQAMTAINCB-UHFFFAOYSA-N
- CAS Registry Number: 614-16-4
- 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: Acetonitrile, benzoyl-; α-Cyanoacetophenone; ω-Cyanoacetophenone; Acetophenone, 2-cyano-; Benzoylacetonitrile; Cyanoacetophenone; Cyanomethyl phenyl ketone; Hydrocinnamonitrile, β-oxo-; Phenacyl cyanide; 2-Cyanoacetophenone; 2-Cyanoacetyl phenone; 3-Phenyl-3-ketopropionitrile; 3-Oxo-3-phenylpropanenitrile; 3-Phenyl-3-oxopropanenitrile; NSC 4713
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 22.1 | kcal/mol | V | Lebedeva, Dneprovskii, et al., 1969 | See Lebedeva, Rjadnenko, et al., 1969; ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 433.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 23.9 | 325.5 | Stephenson and Malanowski, 1987 | Based on data from 318. - 333. K.; AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lebedeva, Dneprovskii, et al., 1969
Lebedeva, N.D.; Dneprovskii, A.S.; Katin, Yu.A.,
Heats of combustion and enthalpies of formation of benzoyl cyanide, ω-cyanoacetophenone, and β-cyanopropiophenone,
Russ. J. Phys. Chem. (Engl. Transl.), 1969, 43, 770-773. [all data]
Lebedeva, Rjadnenko, et al., 1969
Lebedeva, N.D.; Rjadnenko, B.L.; Gutner, N.M.,
Heats of formation of some N-containing organic compounds,
Int. Conf. Calorim. Therm. (Warsaw, Poland), 1969, 1-8. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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