Hexane, 2-methyl-
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChI: InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: GXDHCNNESPLIKD-UHFFFAOYSA-N
- CAS Registry Number: 591-76-4
- 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: 2-Methylhexane; Isoheptane
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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 | OV-1 | DB-5 | DB-5 | BP-1 |
| Column length (m) | 60. | 100. | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | 0.75 |
| Tstart (C) | 45. | 30. | 60. | 60. | 50. |
| Tend (C) | 210. | 310. | 260. | 220. | 200. |
| Heat rate (K/min) | 3.6 | 5. | 4. | 4. | 5. |
| Initial hold (min) | 1.45 | 4. | 5. | ||
| Final hold (min) | 2.72 | 5. | |||
| I | 668. | 662.5 | 662. | 662. | 664. |
| Reference | Bramston-Cook, 2013 | Krkosova, Kubinec, et al., 2007 | Morteza-Semnani, Saeedi, et al., 2006 | Morteza-Semnani K., Saeedi M., et al., 2006 | Health Safety Executive, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | SE-54 | DB-1 |
| Column length (m) | 50. | 60. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 1.2 | |
| Tstart (C) | 60. | 30. |
| Tend (C) | 200. | 240. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 2. | 10. |
| Final hold (min) | ||
| I | 663. | 667. |
| Reference | Guan, Li, et al., 1995 | Ciccioli, Cecinato, et al., 1992 |
| 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]
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]
Morteza-Semnani, Saeedi, et al., 2006
Morteza-Semnani, K.; Saeedi, M.; Akbarsadeh, M.; Moshiri, K.,
The essential oil composition of Onosma microcarpum DC.,
Flavour Fragr. J., 2006, 21, 2, 314-316, https://doi.org/10.1002/ffj.1597
. [all data]
Morteza-Semnani K., Saeedi M., et al., 2006
Morteza-Semnani K.; Saeedi M.; Changizi S.,
The essential oil composition of Hypericum scabrum L. from Iran,
Flavour Fragr. J., 2006, 21, 3, 513-515, https://doi.org/10.1002/ffj.1614
. [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]
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]
Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205
. [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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