Butanenitrile
- Formula: C4H7N
- Molecular weight: 69.1051
- IUPAC Standard InChI: InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
- IUPAC Standard InChIKey: KVNRLNFWIYMESJ-UHFFFAOYSA-N
- CAS Registry Number: 109-74-0
- 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. - Other names: Butyronitrile; n-Butyronitrile; Butyrylonitrile; Propyl cyanide; 1-Cyanopropane; n-C3H7CN; n-Butanitrile; n-Butanenitrile; Butyric acid nitrile; Propylkyanid; UN 2411; NSC 8412
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 | -1.39 ± 0.25 | kcal/mol | Ccb | Evans and Skinner, 1959 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -616.3 | kcal/mol | Ccb | Lemoult and Jungfleisch, 1909 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 32.07 | 298.15 | Mirzaliev, Shakhuradov, et al., 1987 | T = 173 to 373 K. Unsmoothed experimental datum given as 1.930 kJ/kg*K at 293 K. Cp (liq) = 1.8787 + 0.0018882T/K + 7.0408x10-6T2/K2 kJ/kg*K (173 to 373 K). Note, second coefficient should be negative.; DH |
| 32.24 | 303.15 | Guseinov and Mirzaliev, 1985 | T = 303 to 383 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.9520 kJ/kg*K.; DH |
IR Spectrum
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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: Coblentz Society, Inc.
Spectrum
A digitized version of this spectrum is not currently available.
Additional Data
View scan of original (hardcopy) spectrum.
| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Source reference | COBLENTZ NO. 2557 |
| Date | Not specified, most likely prior to 1970 |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Evans and Skinner, 1959
Evans, F.W.; Skinner, H.A.,
The heats of combustion of organic compounds of nitrogen Part 2.-n-Propyl, isopropyl and phenyl cyandies,
Trans. Faraday Soc., 1959, 55, 255-259. [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]
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, IR Spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid 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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