Octane

• Formula: C₈H₁₈
• Molecular weight: 114.2285
• IUPAC Standard InChI: InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: TVMXDCGIABBOFY-UHFFFAOYSA-N Copy
• CAS Registry Number: 111-65-9
• 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.
• Isotopologues:
  • Octane-d18-
  • Octane-1,2,3,4,5,6-d13
  • Octane-1,2,3,4-d9
  • Octane-1,2-d5
• Other names: n-Octane; n-C8H18; Oktan; Oktanen; Ottani; UN 1262
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• Information on this page:
  • Critical density
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • Reference simulation
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Critical density

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Steele, 1992
Steele, W.V., Personal Commun. 1992 1992, 1992. [all data]

Anselme, Gude, et al., 1990
Anselme, M.J.; Gude, M.; Teja, A.S., The Critical Temperatures and Densities of the n-Alkanes from Pentane to Octadecane, Fluid Phase Equilib., 1990, 57, 317-26. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Kreglewski and Kay, 1969
Kreglewski, A.; Kay, W.B., The Critical Constants of Conformal Mixtures, J. Phys. Chem., 1969, 73, 3359. [all data]

Young, 1910
Young, S., The Internal Heat of Vaporization constants of thirty pure substances, Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]

Young, 1900
Young, S., Vapor Pressures, Specific Volumes, and Critical Constants of Normal Octane, J. Chem. Soc., 1900, 77, 1145. [all data]

Notes

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• Symbols used in this document:
  

  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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