Undecane, 4,5-dimethyl-

Formula: C₁₃H₂₈
Molecular weight: 184.3614
IUPAC Standard InChI: InChI=1S/C13H28/c1-5-7-8-9-11-13(4)12(3)10-6-2/h12-13H,5-11H2,1-4H3
IUPAC Standard InChIKey: MYUGNKWRNJTZRU-UHFFFAOYSA-N
CAS Registry Number: 17312-79-7
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: 4,5-Dimethylundecane
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Other data available:
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Squalane	100.	1230.	Heinzen, Soares, et al., 1999
Capillary	Squalane	100.	1231.	Mitra, Mohan, et al., 1974	H2; Column length: 50. m; Column diameter: 0.2 mm
Capillary	Squalane	100.	1230.4	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	1233.6	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Capillary	DC-200	100.	1230.	Schomburg and Henneberg, 1968	He; Column length: 100. m; Column diameter: 0.25 mm
Capillary	DC-200	100.	1234.	Schomburg and Henneberg, 1968	He; Column length: 100. m; Column diameter: 0.25 mm

Kovats' RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DC-200	1212.	Schomburg and Henneberg, 1968	He; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane	1230.	Junkes, Castanho, et al., 2003	Program: not specified

References

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Heinzen, Soares, et al., 1999
Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A., Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes, J. Chromatogr. A, 1999, 849, 2, 495-506, https://doi.org/10.1016/S0021-9673(99)00530-0 . [all data]

Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A., Gas chromatographic analysis of complex hydrocarbon mixtures, J. Chromatogr. A, 1974, 91, 633-648, https://doi.org/10.1016/S0021-9673(01)97944-0 . [all data]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Identification by means of retention parameters, J. Chromatogr. Sci., 1973, 11, 3, 151-159, https://doi.org/10.1093/chromsci/11.3.151 . [all data]

Schomburg and Henneberg, 1968
Schomburg, G.; Henneberg, D., Analyse von i-Paraffingemischen aus ?methylene insertion?-bzw. ?methylene-d₂ insertion?-Reaktionen mit einer Kombination Capillar-Gas-Chromatographie/Massenspectrometrie, Anal. Chem., 1968, 236, 1, 279-294, https://doi.org/10.1007/BF00503281 . [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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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