Nonane, 3-methyl-
- Formula: C10H22
- Molecular weight: 142.2817
- IUPAC Standard InChIKey: PLZDDPSCZHRBOY-UHFFFAOYSA-N
- CAS Registry Number: 5911-04-6
- 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-Methylnonane; 3-Methylnonane, (DL)-
- Information on this page:
- Other data available:
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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 | HP-5 MS | Petrocol DH | VF-5 MS | VF-5 MS |
Column length (m) | 60. | 30. | 100. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1.0 | 0.25 | 0.50 | 0.25 | 0.25 |
Tstart (C) | 45. | 35. | 20. | 30. | 30. |
Tend (C) | 210. | 300. | 220. | 260. | 260. |
Heat rate (K/min) | 3.6 | 3. | 15. | 2. | 2. |
Initial hold (min) | 1.45 | 5. | 15. | ||
Final hold (min) | 2.72 | 15. | 30. | 28. | 28. |
I | 969. | 970. | 975. | 970. | 974. |
Reference | Bramston-Cook, 2013 | Kotowska, Zalikowski, et al., 2012 | Supelco, 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PONA | OV-1 | DB-5 | SPB-5 | DB-5 |
Column length (m) | 50. | 100. | 30. | 60. | 30. |
Carrier gas | Nitrogen | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 1. | 0.25 |
Tstart (C) | 35. | 30. | 60. | 40. | 60. |
Tend (C) | 200. | 310. | 320. | 230. | 300. |
Heat rate (K/min) | 2. | 5. | 10. | 3. | 3. |
Initial hold (min) | 15. | 5. | 3. | ||
Final hold (min) | 10. | 5. | 4. | 5. | |
I | 973. | 972.1 | 967. | 970. | 964. |
Reference | Zhang, Ding, et al., 2009 | Krkosova, Kubinec, et al., 2007 | Smelcerovic, Spiteller, et al., 2007 | Vasta, Ratel, et al., 2007 | Ferraz, Limberger, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | CP Sil 5 CB | BP-1 | DB-1 |
Column length (m) | 30. | 30. | 25. | 50. | 30. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 0.75 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 50. | 60. |
Tend (C) | 220. | 220. | 260. | 200. | 320. |
Heat rate (K/min) | 5. | 4. | 5. | 5. | |
Initial hold (min) | 10. | 5. | 40. | ||
Final hold (min) | |||||
I | 976. | 966. | 968. | 972. | 973. |
Reference | Bertoli, Menichini, et al., 2003 | Morteza-Semnani, Saeedi, et al., 2002 | Baser, Özek, et al., 2000 | Health Safety Executive, 2000 | Katritzky, Chen, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-101 | SE-54 |
Column length (m) | 50. | 50. |
Carrier gas | Helium | |
Substrate | ||
Column diameter (mm) | 0.20 | 0.32 |
Phase thickness (μm) | 0.50 | |
Tstart (C) | 30. | 60. |
Tend (C) | 100. | 200. |
Heat rate (K/min) | 1. | 4. |
Initial hold (min) | 6. | 2. |
Final hold (min) | ||
I | 970. | 970. |
Reference | Orav, Kailas, et al., 1999 | Guan, Li, et al., 1995 |
Comment | 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]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [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]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [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]
Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N.,
Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy,
Biochem. Syst. Ecol., 2007, 35, 2, 99-113, https://doi.org/10.1016/j.bse.2006.09.012
. [all data]
Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n
. [all data]
Ferraz, Limberger, et al., 2005
Ferraz, A.B.F.; Limberger, R.P.; Bordignon, S.A.L.; von Poser, G.L.; Henriques, A.T.,
Essential oil composition of six Hypericum species from southern Brazil,
Flavour Fragr. J., 2005, 20, 3, 335-339, https://doi.org/10.1002/ffj.1435
. [all data]
Bertoli, Menichini, et al., 2003
Bertoli, A.; Menichini, F.; Mazzetti, M.; Spinelli, G.; Morelli, I.,
Volatile constituents of the leaves and flowers of Hypericum triquetrifolium Turra,
Flavour Fragr. J., 2003, 18, 2, 91-94, https://doi.org/10.1002/ffj.1161
. [all data]
Morteza-Semnani, Saeedi, et al., 2002
Morteza-Semnani, K.; Saeedi, M.; Vahedi, M.,
Volatile constituents of Iranian Hypericum perfloratum L.,
Oriental J. Chem., 2002, 18, 3, 443-444. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Kürkcüoglu, M.; Aytac, Z.; Duman, H.,
Composition of the essential oils of Zosima absinthifolia (Vent.) Link and Ferula elaeochytris Korovin from Turkey,
Flavour Fragr. J., 2000, 15, 6, 371-372, https://doi.org/10.1002/1099-1026(200011/12)15:6<371::AID-FFJ919>3.0.CO;2-Z
. [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]
Katritzky, Chen, et al., 2000
Katritzky, A.R.; Chen, K.; Maran, U.; Carlson, D.A.,
QSPR Correlation and predictions of GC retention indexes for methyl-branched hydrocarbons produced by insects,
Anal. Chem., 2000, 72, 1, 101-109, https://doi.org/10.1021/ac990800w
. [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]
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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