Heptane, 3,4-dimethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChI: InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3
- IUPAC Standard InChIKey: MAKRYGRRIKSDES-UHFFFAOYSA-N
- CAS Registry Number: 922-28-1
- 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. - Stereoisomers:
- Other names: 3,4-Dimethylheptane
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Normal alkane RI, non-polar column, temperature ramp
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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 |
|---|---|---|
| Active phase | Petrocol DH | OV-101 |
| Column length (m) | 100. | 25. |
| Carrier gas | Helium | Nitrogen |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.50 | |
| Tstart (C) | 20. | 60. |
| Tend (C) | 220. | 200. |
| Heat rate (K/min) | 15. | 6. |
| Initial hold (min) | 15. | 0. |
| Final hold (min) | 30. | 0. |
| I | 861. | 859. |
| Reference | Supelco, 2012 | Zenkevich, 2003 |
| 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.
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]
Zenkevich, 2003
Zenkevich, I.G. Kostikov,
Prediction of the Gas Chromatographic Elution Order of Diastereomers and Enantiomers using Molecular Dynamics Methods,
Zh. Org. Khim. (Rus.), 2003, 39, 8, 1127-1134. [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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