3-Isopropylcyclopentene

Formula: C₈H₁₄
Molecular weight: 110.1968
IUPAC Standard InChI: InChI=1S/C8H14/c1-7(2)8-5-3-4-6-8/h3,5,7-8H,4,6H2,1-2H3
IUPAC Standard InChIKey: WGGDPEMWUJIPOF-UHFFFAOYSA-N
CAS Registry Number: 4276-45-3
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: Cyclopentene,3-(1-methylethyl)-; 3-[1-Methylethyl]-1-cyclopentene; 3-Isopropylcyclopentene-1
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Squalane	60.	795.	Bogoslovsky, Anvaer, et al., 1978
Capillary	Squalane	80.	800.	Bogoslovsky, Anvaer, et al., 1978
Capillary	Squalane	100.	803.	Rang, Orav, et al., 1977	Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Apiezon L	100.	825.	Eisen, Orav, et al., 1972	Column length: 45. m; Column diameter: 0.25 mm
Capillary	Apiezon L	120.	834.	Eisen, Orav, et al., 1972	Column length: 45. m; Column diameter: 0.25 mm
Capillary	Squalane	30.	789.7	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	794.9	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	800.0	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Squalane	30.	790.	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	795.	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	800.	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	PEG 4000	100.	928.	Rang, Orav, et al., 1988
Capillary	PEG 4000	60.	913.	Rang, Orav, et al., 1988
Capillary	PEG 4000	80.	921.	Rang, Orav, et al., 1988
Capillary	PEG 4000	100.	928.	Rang, Orav, et al., 1977	Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm
Capillary	Polyethylene Glycol 4000	100.	928.3	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Polyethylene Glycol 4000	60.	913.1	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Polyethylene Glycol 4000	80.	921.1	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	PEG 4000	100.	928.3	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	PEG 4000	60.	913.1	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	PEG 4000	80.	921.1	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	50.	793.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Squalane	803.	Chen, 2008	Program: not specified

References

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Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Rang, Orav, et al., 1977
Rang, S.; Orav, A.; Kuningas, K.; Eisen, O., Capillary Gas Chromatography of Monosubstituted Cyclopentenes and Cyclohexenes, Chromatographia, 1977, 10, 3, 115-122, https://doi.org/10.1007/BF02297862 . [all data]

Eisen, Orav, et al., 1972
Eisen, O.; Orav, A.; Rang, S., Identifizierung von Normal-Alkenen, Cyclopentenen und -Hexenen mittels Kapillar-Gas-Chromatographie. Identification des alcènes, cyclopentènes et -hexènes à l'aide de la chromatogrpahie en phase gazeuse sur colonne capillaire, Chromatographia, 1972, 5, 11, 229-239, https://doi.org/10.1007/BF02270600 . [all data]

Orav and Eisen, 1972
Orav, A.; Eisen, O., The retention indexes for alkenes, alkynes and cyclenes on capillary columns, Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [all data]

Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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