Propanenitrile
- Formula: C3H5N
- Molecular weight: 55.0785
- IUPAC Standard InChI: InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
- IUPAC Standard InChIKey: FVSKHRXBFJPNKK-UHFFFAOYSA-N
- CAS Registry Number: 107-12-0
- 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. - Isotopologues:
- Other names: Propionitrile; Cyanoethane; Ether cyanatus; Ethyl cyanide; Hydrocyanic ether; Propionic nitrile; Propiononitrile; Propylnitrile; C2H5CN; Ethylkyanid; Propannitril; Rcra waste number P101; UN 2404; n-Propanenitrile; NSC 7966
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Condensed phase 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 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 | 15.5 | kJ/mol | Ccr | Hall and Baldt, 1971 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1948.3 ± 0.54 | kJ/mol | Ccr | Hall and Baldt, 1971 | ALS |
| ΔcH°liquid | -1918. | kJ/mol | Ccb | Lemoult and Jungfleisch, 1909 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 189.33 | J/mol*K | N/A | Weber and Kilpatrick, 1962 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 105.3 | 298.15 | Mirzaliev, Shakhuradov, et al., 1987 | T = 193 to 353 K. Unsmoothed experimental datum given as 1.845 kJ/kg*K at 293 K. Cp(liq) = 1.9082 + 0.0027614T/K + 9.3056x10-6T2/K2 kJ/kg*K (193 to 353 K). Note, second term should be negative.; DH |
| 106.0 | 303.15 | Guseinov and Mirzaliev, 1985 | T = 303 to 363 K. p = 0.1 MPa. Unsoothed experimental datum given as 1.9250 kJ/kg*K.; DH |
| 112.9 | 297. | Hall and Baldt, 1971 | DH |
| 119.50 | 298.15 | Weber and Kilpatrick, 1962 | T = 15 to 300 K.; 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.
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]
Lemoult and Jungfleisch, 1909
Lemoult, M.P.; Jungfleisch, M.E.,
Thermochimie. - Comparaisons entre les nitriles et les carbylamines,
Compt. Rend., 1909, 148, 1602-1604. [all data]
Weber and Kilpatrick, 1962
Weber, L.A.; Kilpatrick, J.E.,
Entropy and related thermodynamic properties of propionitrile,
J. Chem. Phys., 1962, 36, 829-834. [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]
Guseinov and Mirzaliev, 1985
Guseinov, S.O.; Mirzaliev, A.A.,
Experimental investigation of volumetric and isobaric heat capacity of saturated nitriles at elevated temperatures and different pressures, Izv. Vyssh. Ucheb. Zaved.,
Neft i Gaz, 1985, 28(5), 58-62. [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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