but-2(E)-enenitrile
- Formula: C4H5N
- Molecular weight: 67.0892
- IUPAC Standard InChI: InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
- IUPAC Standard InChIKey: NKKMVIVFRUYPLQ-NSCUHMNNSA-N
- CAS Registry Number: 627-26-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: (E)-2-Butenenitrile
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 24.06 ± 0.22 | kcal/mol | Ccb | Konicek, Prochzka, et al., 1969 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -571.06 ± 0.21 | kcal/mol | Ccb | Konicek, Prochzka, et al., 1969 | |
| ΔcH°liquid | -571.9 | kcal/mol | Ccb | Bruylants and Christiaen, 1925 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 637. | Bendimerad and Bendiab, 2005 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1157. | Bendimerad and Bendiab, 2005 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Konicek, Prochzka, et al., 1969
Konicek, J.; Prochzka, M.; Krestanov, V.; Smisek, M.,
Thermochemie der nitrile I. Über die bildungswärmen aliphatischer nitrile,
Collect. Czech. Chem. Commun., 1969, 34, 2249-2257. [all data]
Bruylants and Christiaen, 1925
Bruylants, P.; Christiaen, A.,
Thermochimie des Butenes-Nitriles,
Bull. Soc. Chim. Belg., 1925, 34, 144-150. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
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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