Octane, 3-methyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChI: InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3
- IUPAC Standard InChIKey: SEEOMASXHIJCDV-UHFFFAOYSA-N
- CAS Registry Number: 2216-33-3
- 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. - Species with the same structure:
- Other names: 3-Methyloctane; Isononane
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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 | PONA | OV-1 |
| Column length (m) | 60. | 100. | 30. | 50. | 100. |
| Carrier gas | Helium | Helium | Nitrogen | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.20 | 0.32 |
| Phase thickness (μm) | 1.0 | 0.50 | 0.25 | 0.50 | 0.25 |
| Tstart (C) | 45. | 20. | 40. | 35. | 30. |
| Tend (C) | 210. | 220. | 320. | 200. | 310. |
| Heat rate (K/min) | 3.6 | 15. | 20. | 2. | 5. |
| Initial hold (min) | 1.45 | 15. | 2. | 15. | |
| Final hold (min) | 2.72 | 30. | 13. | 10. | 5. |
| I | 872. | 876. | 874. | 874. | 871.9 |
| Reference | Bramston-Cook, 2013 | Supelco, 2012 | Tsuge, Ohtan, et al., 2011 | Zhang, Ding, et al., 2009 | Krkosova, Kubinec, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | BP-1 | OV-101 | CP Sil 5 CB | SE-54 |
| Column length (m) | 50. | 50. | 25. | 50. |
| Carrier gas | He | Helium | ||
| Substrate | ||||
| Column diameter (mm) | 0.22 | 0.20 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.75 | 0.50 | 0.45 | |
| Tstart (C) | 50. | 30. | 0. | 60. |
| Tend (C) | 200. | 100. | 300. | 200. |
| Heat rate (K/min) | 5. | 1. | 3. | 4. |
| Initial hold (min) | 6. | 5. | 2. | |
| Final hold (min) | 10. | |||
| I | 873. | 867. | 872. | 875. |
| Reference | Health Safety Executive, 2000 | Orav, Kailas, et al., 1999 | Höld, Schouten, et al., 1998 | Guan, Li, et al., 1995 |
| 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]
Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T.,
Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline,
Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0
. [all data]
Krkosova, Kubinec, et al., 2007
Krkosova, Z.; Kubinec, R.; Addova, G.; Jurdakova, H.; Blasko, J.; Ostrovsky, I.; Sojak, L.,
Gas chromatographic - mass spectrometric characterization of monomethylalkanes from fuel diesel,
Petroleum Coal, 2007, 49, 3, 51-62. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [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]
Höld, Schouten, et al., 1998
Höld, I.M.; Schouten, S.; van Kaam-Peters, H.M.E.; Sinninghe Damsté, J.S.,
Recognition of n-alkyl and isoprenoid algaenans in marine sediments by stable carbon isotopic analysis of pyrolysis products of kerogens,
Org. Geochem., 1998, 28, 3-4, 179-194, https://doi.org/10.1016/S0146-6380(97)00130-7
. [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]
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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