n-Nonylcyclohexane

Formula: C₁₅H₃₀
Molecular weight: 210.3987
IUPAC Standard InChI: InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3
IUPAC Standard InChIKey: CLMFECCMAVQYQA-UHFFFAOYSA-N
CAS Registry Number: 2883-02-5
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Nonylcyclohexane; Cyclohexane, nonyl-; Nonylcylohexane
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-1	140.	1546.	Beens, Tijssen, et al., 1998	10. m/0.25 mm/0.25 μm, He

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	OV-101	1543.	Ohnishi and Shibamoto, 1984	2. K/min; Column length: 50. m; Column diameter: 0.23 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1543.	Ohnishi and Shibamoto, 1984	2. K/min; Column length: 50. m; Column diameter: 0.23 mm; T_start: 80. C; T_end: 200. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1556.	Kenig, Simons, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 60C(1.5min) => 20C/min => 130C => 4C/min => 315C (90min)

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Petro	1549.6	Pang T., Zhu S., et al., 2007	50. m/0.2 mm/0.5 μm, 2. K/min; T_start: 50. C; T_end: 270. C
Capillary	DB-Petro	1551.2	Pang T., Zhu S., et al., 2007	50. m/0.2 mm/0.5 μm, 2. K/min; T_start: 50. C; T_end: 270. C
Capillary	DB-1	1536.	Beens, Tijssen, et al., 1998	10. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 30. C; T_end: 225. C
Capillary	Ultra-1	1544.32	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 1. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-1	1549.04	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 2. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-1	1552.36	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 3. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	1551.07	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 1. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	1556.36	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 2. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	1559.54	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 3. K/min; T_start: -30. C; T_end: 240. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SP-2100	1535.	Alencar, Alves, et al., 1983	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 40. C; T_end: 250. C

References

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Beens, Tijssen, et al., 1998
Beens, J.; Tijssen, R.; Blomberg, J., Prediction of comprehensive two-dimensional gas chromatographic separations. A theoretical and practical exercise, J. Chromatogr. A, 1998, 822, 2, 233-251, https://doi.org/10.1016/S0021-9673(98)00649-9 . [all data]

Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T., Volatile compounds from heated beef fat and beef fat with glycine, J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008 . [all data]

Kenig, Simons, et al., 2005
Kenig, F.; Simons, D.-J.H.; Crich, D.; Cowen, J.P.; Ventura, G.T.; Rehbein-Khalily, T., Structure and distribution of branched aliphatic alkanes with quaternary carbon atoms in Cenomanian and Turonian black shales of Pasquia Hills (Saskatchewan, Canada), Org. Geochem., 2005, 36, 1, 117-138, https://doi.org/10.1016/j.orggeochem.2004.06.014 . [all data]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [all data]

Alencar, Alves, et al., 1983
Alencar, J.W.; Alves, P.B.; Craveiro, A.A., Pyrolysis of tropical vegetable oils, J. Agric. Food Chem., 1983, 31, 6, 1268-1270, https://doi.org/10.1021/jf00120a031 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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