Undecane, 2-methyl-

Formula: C₁₂H₂₆
Molecular weight: 170.3348
IUPAC Standard InChI: InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
IUPAC Standard InChIKey: GTJOHISYCKPIMT-UHFFFAOYSA-N
CAS Registry Number: 7045-71-8
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-Methylundecane
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

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

Go To: Top, References, Notes

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	Petrocol DH	Cross-Linked Methylsilicone	Ultra-1
Column length (m)	20.	30.	100.		50.
Carrier gas		He	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.25		0.22
Phase thickness (μm)	0.25	1.	0.5		0.33
T_start (C)	60.	50.	30.	40.	-30.
T_end (C)	240.	200.	220.	300.	240.
Heat rate (K/min)	5.	2.5	1.	5.	1.
Initial hold (min)	4.
Final hold (min)	15.
I	1164.	1165.1	1170.	1164.	1165.25
Reference	Kallio, Jussila, et al., 2006	Xu, van Stee, et al., 2003	White, Hackett, et al., 1992	Khorasheh, Gray, et al., 1989	Haynes and Pitzer, 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Ultra-1	Ultra-1	Ultra-2	Ultra-2	Ultra-2
Column length (m)	50.	50.	50.	50.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.22	0.22	0.22	0.22
Phase thickness (μm)	0.33	0.33	0.33	0.33	0.33
T_start (C)	-30.	-30.	-30.	-30.	-30.
T_end (C)	240.	240.	240.	240.	240.
Heat rate (K/min)	2.	3.	1.	2.	3.
Initial hold (min)
Final hold (min)
I	1165.41	1165.39	1164.40	1164.52	1164.69
Reference	Haynes and Pitzer, 1985	Haynes and Pitzer, 1985	Haynes and Pitzer, 1985	Haynes and Pitzer, 1985	Haynes and Pitzer, 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	OV-101
Column length (m)	108.
Carrier gas
Substrate
Column diameter (mm)	0.25
Phase thickness (μm)	0.2
T_start (C)	35.
T_end (C)	200.
Heat rate (K/min)	1.
Initial hold (min)
Final hold (min)
I	1165.
Reference	Hayes and Pitzer, 1981
Comment	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

Kallio, Jussila, et al., 2006
Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.; Adahchour, M.; Hyotylainen, T., Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest, J. Chromatogr. A, 2006, 1125, 2, 234-243, https://doi.org/10.1016/j.chroma.2006.05.050 . [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Khorasheh, Gray, et al., 1989
Khorasheh, F.; Gray, M.R.; Selucky, M.L., Correlation for Kováts retention index of C₉-C₂₆ monoalkyl and polymethyl alkanes and alkenes, J. Chromatogr., 1989, 481, 1-16, https://doi.org/10.1016/S0021-9673(01)96747-0 . [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]

Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.