3,4-Dimethylheptane, threo

Formula: C₉H₂₀
Molecular weight: 128.2551
IUPAC Standard InChI: InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
IUPAC Standard InChIKey: MAKRYGRRIKSDES-RKDXNWHRSA-N
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
Other names: β-3,4-dimethylheptane; 3,4-Dimethylheptane, (L); Heptane, 3,4-dimethyl-, threo-
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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	50.	857.9	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Squalane	70.	862.6	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Vacuum Grease Oil (VM-4)	95.	859.8	Sultanov and Arustamova, 1975	N2; Column length: 150. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	860.	Schomburg, 1967	Ar; Column length: 100. m

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	PONA	849.2	Martos, Saraullo, et al., 1997	50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
Capillary	PONA	855.7	Martos, Saraullo, et al., 1997	50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
Capillary	SE-30	856.4	Krupcík, Repka, et al., 1987	60. m/0.25 mm/1. μm, H2, 1. K/min; T_start: 60. C

References

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Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L., Identification of hydrocarbons C₁-C₉ of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate, Zh. Anal. Khim., 1988, 43, 127-135. [all data]

Sultanov and Arustamova, 1975
Sultanov, N.T.; Arustamova, L.G., Determination of the boiling points of C₁₀ isoalkanes in an n-decane isomerizate from gas chromatographic retention indices, J. Chromatogr., 1975, 115, 2, 553-558, https://doi.org/10.1016/S0021-9673(01)98959-9 . [all data]

Schomburg, 1967
Schomburg, G., Struktur und Retentionsverhalten von Offenkettigen und Cyclischen Kohlenwasserstoffen und Deren Einfacher Substitutionsprodukte, Anal. Chim. Acta., 1967, 38, 45-64, https://doi.org/10.1016/S0003-2670(01)80560-2 . [all data]

Martos, Saraullo, et al., 1997
Martos, P.A.; Saraullo, A.; Pawliszyn, J., Estimation of air/coating distribution coefficients for solid phase microextraction using retention indexes from linear temperature-programmed capillary gas chromatography. Application to the sampling and analysis of total petroleum hydrocarbons in air, Anal. Chem., 1997, 69, 3, 402-408, https://doi.org/10.1021/ac960633p . [all data]

Krupcík, Repka, et al., 1987
Krupcík, J.; Repka, D.; Hevesi, T.; Garaj, J., Use of Kováts retention indices for characterizing solutes in complex samples separated by linear temperature-programmed capillary gas-liquid chromatography, J. Chromatogr., 1987, 406, 117-129, https://doi.org/10.1016/S0021-9673(00)94022-6 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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