2-Butenenitrile

Formula: C₄H₅N
Molecular weight: 67.0892
IUPAC Standard InChI: InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3
IUPAC Standard InChIKey: NKKMVIVFRUYPLQ-UHFFFAOYSA-N
CAS Registry Number: 4786-20-3
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
- (Z)-2-Butenenitrile
- but-2(E)-enenitrile
Other names: Crotononitrile; Crotonic nitrile; Crotonitrile; Crotonnitrile; 1-Cyanopropene; 1-Propenyl cyanide; 1-Cyano-1-propylene; Croton acid nitrile; Crotonique nitrile; β-Methylacrylonitrile; NSC 165574; trans or cis-crotononitrile; cis or trans-crotononitrile
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Kovats' RI, non-polar column, isothermal

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	BPX-5	CP Sil 5 CB	CP Sil 5 CB	PoraPLOT Q
Column length (m)	12.	12.	25.	25.	10.
Carrier gas	H2	H2	H2	H2	H2
Substrate
Column diameter (mm)	0.15	0.15	0.15	0.15	0.32
Phase thickness (μm)	0.25	0.25	2.	2.	10.
Temperature (C)	30.	30.	20.	20.	100.
I	661.	664.	619.8	647.2	624.
Reference	Aflalaye, Sternberg, et al., 1995	Aflalaye, Sternberg, et al., 1995	Do and Raulin, 1992	Do and Raulin, 1992	Do and Raulin, 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	PoraPLOT Q
Column length (m)	10.
Carrier gas	H2
Substrate
Column diameter (mm)	0.32
Phase thickness (μm)	10.
Temperature (C)	160.
I	624.
Reference	Do and Raulin, 1989
Comment	MSDC-RI

References

Go To: Top, Kovats' RI, non-polar column, isothermal, Notes

Aflalaye, Sternberg, et al., 1995
Aflalaye, A.; Sternberg, R.; Raulin, F.; Vidal-Madjar, C., Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columns, J. Chromatogr. A, 1995, 708, 2, 283-291, https://doi.org/10.1016/0021-9673(95)00410-O . [all data]

Do and Raulin, 1992
Do, L.; Raulin, F., Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column, J. Chromatogr., 1992, 591, 1-2, 297-301, https://doi.org/10.1016/0021-9673(92)80247-R . [all data]

Do and Raulin, 1989
Do, L.; Raulin, F., Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column, J. Chromatogr., 1989, 481, 45-54, https://doi.org/10.1016/S0021-9673(01)96751-2 . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, isothermal, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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