2-Propenenitrile
- Formula: C3H3N
- Molecular weight: 53.0626
- IUPAC Standard InChI: InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
- IUPAC Standard InChIKey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
- CAS Registry Number: 107-13-1
- 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: Acrylonitrile; Acrylon; Carbacryl; Cyanoethylene; Fumigrain; Propenenitrile; Ventox; Vinyl cyanide; VCN; CH2CHCN; Acritet; Acrylnitril; Acrylonitrile monomer; Akrylonitryl; Cianuro di vinile; Cyanure de vinyle; ENT 54; Miller's fumigrain; Nitrile acrilico; Nitrile acrylique; TL 314; Akrylonitril; Rcra waste number U009; UN 1093; Vinylkyanid; Cyanoethene; Propenitrile; Propenonitrile; NSC 6362
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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 | 33.5 | kcal/mol | Ccb | Baroody and Carpenter, 1972 | ALS |
| ΔfH°liquid | 35.16 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -419.79 ± 0.10 | kcal/mol | Ccr | Hall and Baldt, 1971 | ALS |
| ΔcH°liquid | -420.5 ± 0.7 | kcal/mol | Ccb | Davis and Wiedeman, 1945 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 42.761 | cal/mol*K | N/A | Finke, Messerly, et al., 1972 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 23.6 | 298.15 | Mirzaliev, Shakhuradov, et al., 1987 | T = 213 to 333 K. Unsmoothed experimental datum given as 1.898 kJ/kg*K at 293 K. Cp(liq) = 2.05105 + 0.00465503T/K + 1.34722x10-5T2/K2 kJ/kg*K (213 to 333 K). Note, second coefficient should be negative.; DH |
| 25.999 | 298.15 | Finke, Messerly, et al., 1972 | T = 12 to 350 K.; DH |
| 25.50 | 297. | Hall and Baldt, 1971 | DH |
| 27.0 | 298. | Davis and Wiedeman, 1945 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A.,
Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]
Hall and Baldt, 1971
Hall, H.K., Jr.; Baldt, J.H.,
Thermochemistry of strained-ring bridgehead nitriles and esters,
J. Am. Chem. Soc., 1971, 93, 140-145. [all data]
Davis and Wiedeman, 1945
Davis, H.S.; Wiedeman, O.F.,
Physical properties of acrylonitrile,
Ind. Chim. Belge, 1945, 37, 482-485. [all data]
Finke, Messerly, et al., 1972
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of acrylonitrile, 1-aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane,
J. Chem. Thermodynam., 1972, 4, 359-374. [all data]
Mirzaliev, Shakhuradov, et al., 1987
Mirzaliev, A.A.; Shakhuradov, Sh.G.; Guseinov, S.O.,
Investigation of the isobaric heat capacity of nitriles at different temperatures, Izv. Vyssh. Ucheb. Zaved.,
Neft i Gaz, 1987, 30(4), 55-58. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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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