- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: INMGJWCKWKKMPN-UHFFFAOYSA-N
- CAS Registry Number: 4209-91-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Species with the same structure:
- Other names: 3,5-Dimethyl-3-hexanol; 3,5-dimethylhexan-3-ol
- Information on this page:
- Other data available:
Data at NIST subscription sites:
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Go To: Top, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
View large format table.
|Column type||Active phase||I||Reference||Comment|
|Capillary||Methyl Silicone||883.||Feng and Mu, 2007||Program: not specified|
|Capillary||Polydimethyl siloxane||883.||Junkes, Castanho, et al., 2003||Program: not specified|
|Capillary||Methyl Silicone||883.||Estrada and Gutierrez, 1999||Program: not specified|
Go To: Top, Gas Chromatography, Notes
Feng and Mu, 2007
Feng, H.; Mu, L.-L., Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index, Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [all data]
Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]
Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y., Modeling chromatographic parameters by a novel graph theoretical sub-structural approach, J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0 . [all data]
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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