3-(2-Propenyl)cyclopentene
- Formula: C8H12
- Molecular weight: 108.1809
- IUPAC Standard InChI: InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h2-3,6,8H,1,4-5,7H2
- IUPAC Standard InChIKey: VWGHETFSGHHDRB-UHFFFAOYSA-N
- CAS Registry Number: 14564-97-7
- 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: Cyclopentene,3-(2-propenyl)-; 3-[2-Propenyl]-1-cyclopentene; 3-Allyl-1-cyclopentene; 3-Allylcyclopentene-1
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C8H12+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.89 ± 0.02 | PE | Rang, Paldoia, et al., 1974 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | B. Derendyaev, Novosibirsk Institute of Organic Chemistry |
| NIST MS number | 139451 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 100. | 797. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 30. | 800.0 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 60. | 801.2 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 805.0 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 30. | 800. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 60. | 802. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 805. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG 4000 | 100. | 985. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 110. | 989. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 120. | 992. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 60. | 970. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 80. | 978. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 100. | 985. | Rang, Orav, et al., 1977 | Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm |
| Capillary | Polyethylene Glycol 4000 | 100. | 940.9 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Polyethylene Glycol 4000 | 60. | 926.6 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Polyethylene Glycol 4000 | 80. | 934.8 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 100. | 940.9 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 60. | 926.6 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 80. | 934.8 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Squalane | 797. | Chen, 2008 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A.,
Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes,
Eesti. NSV Tead. Akad. Toim., 1974, 354. [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
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
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