2-Hexanol, 2,5-dimethyl-, (S)-

Formula: C₈H₁₈O
Molecular weight: 130.2279
IUPAC Standard InChI: InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3
IUPAC Standard InChIKey: JPUIYNHIEXIFMV-UHFFFAOYSA-N
CAS Registry Number: 3730-60-7
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: 2-Hexanol, 2,5-dimethyl-, (S)-(+)-; 2,5-Dimethyl-2-hexanol; 2-Hexanol, 2,5-dimethyl-; 2,5-dimethylhexan-2-ol
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Phase change data

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Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity	Value	Units	Method	Reference	Comment
T_boil	426.65	K	N/A	Barclay and Hilchie, 1957	Uncertainty assigned by TRC = 3. K
T_boil	421.15	K	N/A	Woods and Viola, 1956	Uncertainty assigned by TRC = 5. K
T_boil	427.15	K	N/A	Dupont, 1913	Uncertainty assigned by TRC = 3. K
T_boil	428.15	K	N/A	Dupont, 1913	Uncertainty assigned by TRC = 3. K
T_boil	426.15	K	N/A	Clarke, 1909	Uncertainty assigned by TRC = 3. K

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-400 CM^-1); BECKMAN IR-9 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

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

gas; HP-GC/MS/IRD

References

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Barclay and Hilchie, 1957
Barclay; Hilchie, J. Org. Chem., 1957, 22, 633. [all data]

Woods and Viola, 1956
Woods, G.F.; Viola, A., J. Am. Chem. Soc., 1956, 78, 4380. [all data]

Dupont, 1913
Dupont, G., Ann. Chim. Phys., 1913, 30, 485. [all data]

Clarke, 1909
Clarke, L., Di-isobutyl or 2,5-dimethyl-hexane, J. Am. Chem. Soc., 1909, 31, 585. [all data]

Notes

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Symbols used in this document:

T_boil Boiling point
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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