pent-4-enenitrile

Formula: C₅H₇N
Molecular weight: 81.1158
IUPAC Standard InChI: InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2
IUPAC Standard InChIKey: CFEYBLWMNFZOPB-UHFFFAOYSA-N
CAS Registry Number: 592-51-8
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 3-Butenyl cyanide; 4-Pentenenitrile; But-3-enyl cyanide
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Information on this page:
Other data available:
- Phase change data
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	Mega 5MS	742.	Condurso, Verzera, et al., 2006	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	1275.	Condurso, Verzera, et al., 2006	60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C

Column type	Active phase	I	Reference	Comment
Capillary	HP-1	744.	Breme, Langle, et al., 2008	50. m/0.20 mm/0.33 μm, Helium, 2. K/min, 250. C @ 20. min; T_start: 60. C
Capillary	HP-1	735.	Valette, Fernandez, et al., 2006	50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 40. min; T_start: 60. C
Capillary	HP-1	731.	Bendimerad and Bendiab, 2005	50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 60. min; T_start: 60. C

Column type	Active phase	I	Reference	Comment
Capillary	HP-20M	1244.	Breme, Langle, et al., 2008	50. m/0.20 mm/0.20 μm, Helium, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	Innowax	1275.	Bendimerad and Bendiab, 2005	50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 60. min; T_start: 60. C

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Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S., The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry, Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679 . [all data]

Breme, Langle, et al., 2008
Breme, K.; Langle, S.; Fernandez, X.; Meierhenrich, U.J.; Brevard, H.; Joulain, D., Character impact odorants from Brassicaceae by aroma extracts dilution analysis (AEDA): Brassica cretica and Brassica insularis, Flavour Fragr. J., 2008, 24, 2, 88-93, https://doi.org/10.1002/ffj.1912 . [all data]

Valette, Fernandez, et al., 2006
Valette, L.; Fernandez, X.; Poulain, S.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Chemical composition of the volatile extracts from Brassica oleracea L. var. botrytis 'Romanesco' cauliflower seeds, Flavour Fragr. J., 2006, 21, 1, 107-110, https://doi.org/10.1002/ffj.1530 . [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]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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