1-Heptene
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
- IUPAC Standard InChIKey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N
- CAS Registry Number: 592-76-7
- 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: n-Hept-1-ene; 1-n-Heptene; 1-C7H14; α-Heptylene; Heptylene; NSC 74130; heptene-1; hept-1-ene
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane: CP-Sil 5 CB | Petrocol DH | Ultra-ALLOY-5 | Ultra-ALLOY-5 | Ultra-ALLOY-5 |
| Column length (m) | 60. | 100. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1.0 | 0.50 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 20. | 40. | 40. | 40. |
| Tend (C) | 210. | 220. | 320. | 320. | 320. |
| Heat rate (K/min) | 3.6 | 15. | 20. | 20. | 20. |
| Initial hold (min) | 1.45 | 15. | 2. | 2. | 2. |
| Final hold (min) | 2.72 | 30. | 13. | 13. | 13. |
| I | 693. | 687. | 689. | 690. | 693. |
| Reference | Bramston-Cook, 2013 | Supelco, 2012 | Tsuge, Ohtan, et al., 2011 | Tsuge, Ohtan, et al., 2011 | Tsuge, Ohtan, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Petrocol DH | MDN-5 | DB-5MS | Methyl Silicone | OV-101 |
| Column length (m) | 150. | 60. | 30. | 60. | 50. |
| Carrier gas | He | He | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
| Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | 0.50 |
| Tstart (C) | 40. | 40. | 40. | 40. | 30. |
| Tend (C) | 300. | 270. | 250. | 220. | 100. |
| Heat rate (K/min) | 1. | 4. | 3. | 5. | 1. |
| Initial hold (min) | 4. | 1. | 10. | 6. | |
| Final hold (min) | 5. | ||||
| I | 686. | 689. | 687. | 683.76 | 689. |
| Reference | Sojak, Kubinec, et al., 2006 | van Loon, Linssen, et al., 2005 | Shoenmakers, Oomen, et al., 2000 | Baraldi, Rapparini, et al., 1999 | Orav, Kailas, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | HP-5 | HP-5 | DB-1 | DB-5 |
| Column length (m) | 50. | 50. | 60. | ||
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
| Phase thickness (μm) | 1.0 | ||||
| Tstart (C) | 60. | 35. | 35. | -20. | 40. |
| Tend (C) | 200. | 200. | 200. | 160. | |
| Heat rate (K/min) | 4. | 6. | 6. | 2. | 2. |
| Initial hold (min) | 2. | 2. | 2. | 5. | |
| Final hold (min) | |||||
| I | 686. | 691. | 689. | 689. | 694. |
| Reference | Guan, Li, et al., 1995 | Larsen and Frisvad, 1995 | Larsen and Frisvad, 1995, 2 | Ramnas, Ostermark, et al., 1994 | Macku and Shibamoto, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | OV-101 | SE-30 | SP-2100 |
| Column length (m) | 60. | 54. | 50. | 30. |
| Carrier gas | He | Helium | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.26 | 0.25 | 0.25 |
| Phase thickness (μm) | ||||
| Tstart (C) | 40. | 50. | 20. | 40. |
| Tend (C) | 160. | 240. | 260. | 250. |
| Heat rate (K/min) | 2. | 5. | 2. | 4. |
| Initial hold (min) | 5. | 0. | 4. | |
| Final hold (min) | 0. | 16. | ||
| I | 693. | 689. | 687. | 686. |
| Reference | Macku and Shibamoto, 1991, 2 | Zenkevich and Ventura, 1991 | Hackett, Gibbon, et al., 1985 | Alencar, Alves, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Tsuge, Ohtan, et al., 2011
Tsuge, S.; Ohtan, H.; Watanabe, C.,
Pyrolysis - GC/MS Data Book of Synthetic Polymers, Elsevier, 2011, 420. [all data]
Sojak, Kubinec, et al., 2006
Sojak, L.; Kubinec, R.; Jurdakova, H.; Hajekova, E.; Bajus, M.,
GC-MS of polyethylene and polypropylene thermal cracking produxts,
Petroleum Coal, 2006, 48, 1, 1-14. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
. [all data]
Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G.,
Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures,
J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5
. [all data]
Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P.,
Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees,
Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8
. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]
Guan, Li, et al., 1995
Guan, Y.; Li, L.; Zhou, L.,
Live retention database for compound identification in capillary gas chromatography,
Chin. J. Chromatogr., 1995, 13, 5, 851-857. [all data]
Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2
. [all data]
Larsen and Frisvad, 1995, 2
Larsen, T.O.; Frisvad, J.C.,
Comparison of different methods for collection of volatile chemical markers from fungi,
J. Microbiol. Methods, 1995, 24, 2, 135-144, https://doi.org/10.1016/0167-7012(95)00063-1
. [all data]
Ramnas, Ostermark, et al., 1994
Ramnas, O.; Ostermark, U.; Peterson, G.,
Characterization of sixty alkenes in a cat-cracked gasoline naphtha by gas chromatography,
Chromatographia, 1994, 38, 3/4, 222-226, https://doi.org/10.1007/BF02290340
. [all data]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
J. Agric. Food Chem., 1991, 39, 7, 1265-1269, https://doi.org/10.1021/jf00007a014
. [all data]
Macku and Shibamoto, 1991, 2
Macku, C.; Shibamoto, T.,
Volatile sulfur-containing compounds generated from the thermal interaction of corn oil and cysteine,
J. Agric. Food Chem., 1991, 39, 11, 1987-1989, https://doi.org/10.1021/jf00011a021
. [all data]
Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K.,
Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen,
Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [all data]
Hackett, Gibbon, et al., 1985
Hackett, J.P.; Gibbon, G.A.; Feldman, J.A.,
Capillary Gas Chromatographic Characterization of Fischer-Tropsch Liquefaction Product Oils,
J. Chromatogr. Sci., 1985, 23, 7, 285-292, https://doi.org/10.1093/chromsci/23.7.285
. [all data]
Alencar, Alves, et al., 1983
Alencar, J.W.; Alves, P.B.; Craveiro, A.A.,
Pyrolysis of tropical vegetable oils,
J. Agric. Food Chem., 1983, 31, 6, 1268-1270, https://doi.org/10.1021/jf00120a031
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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