1-Hexene, 3,4-dimethyl-

Formula: C₈H₁₆
Molecular weight: 112.2126
IUPAC Standard InChI: InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5,7-8H,1,6H2,2-4H3
IUPAC Standard InChIKey: OWWRMMIWAOBBFK-UHFFFAOYSA-N
CAS Registry Number: 16745-94-1
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: 3,4-Dimethyl-1-hexene; 3,4-Dimethylhex-1-ene
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- Mass spectrum (electron ionization)
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Phase change data

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Data compiled by: William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	38.9	kJ/mol	N/A	Reid, 1972

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	Petrocol DH	30.	744.3	Soják, Addová, et al., 2004	150. m/0.25 mm/1. μm, H2
Capillary	Petrocol DH	30.	745.4	Soják, Addová, et al., 2004	150. m/0.25 mm/1. μm, H2
Capillary	Squalane	30.	737.9	Soják, Addová, et al., 2004	He; Column length: 93. m; Column diameter: 0.25 mm
Capillary	Squalane	30.	739.2	Soják, Addová, et al., 2004	He; Column length: 93. m; Column diameter: 0.25 mm
Capillary	DB-1	40.	745.	Lubeck and Sutton, 1984	60. m/0.264 mm/0.25 μm, H2
Capillary	HP-PONA	40.	745.	Lubeck and Sutton, 1984	50. m/0.21 mm/0.5 μm, H2
Capillary	DB-1	40.	746.	Lubeck and Sutton, 1984	60. m/0.264 mm/0.25 μm, H2
Capillary	HP-PONA	40.	746.	Lubeck and Sutton, 1984	50. m/0.21 mm/0.5 μm, H2
Capillary	Squalane	40.	741.	Matukuma, 1969	N2; Column length: 91.4 m; Column diameter: 0.25 mm
Capillary	Squalane	40.	742.	Matukuma, 1969	N2; Column length: 91.4 m; Column diameter: 0.25 mm
Packed	Squalane	30.	755.5	Tourres, 1967	H2; Column length: 10. m
Packed	Squalane	50.	756.	Tourres, 1967	H2; Column length: 10. m

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	50.	756.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH	741.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	Petrocol DH	742.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	PONA	746.	Zhang, Ding, et al., 2009	50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min

References

Go To: Top, Phase change data, Gas Chromatography, Notes

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Soják, Addová, et al., 2004
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Bohác, A., Capillary gas chromatography-mass spectrometry of all 93 acyclic octenes and their identification in fluid catalytic cracked gasoline, J. Chromatogr. A, 2004, 1025, 2, 237-253, https://doi.org/10.1016/j.chroma.2003.10.112 . [all data]

Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L., Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1984, 7, 9, 542-544, https://doi.org/10.1002/jhrc.1240070913 . [all data]

Matukuma, 1969
Matukuma, A., Retention indices of alkanes through C₁₀ and alkenes through C₈ and relation between boiling points and retention data, Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [all data]

Tourres, 1967
Tourres, D.A., Structural analysis of industrial butene dimers by gas chromatography, J. Gas Chromatogr., 1967, 5, 1, 35-40, https://doi.org/10.1093/chromsci/5.1.35 . [all data]

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]

Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T., Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline, Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0 . [all data]

Notes

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Symbols used in this document:

Δ_vapH° Enthalpy of vaporization at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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