Octane, 2-methyl-

• Formula: C₉H₂₀
• Molecular weight: 128.2551
• IUPAC Standard InChI: InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: ZUBZATZOEPUUQF-UHFFFAOYSA-N Copy
• CAS Registry Number: 3221-61-2
• 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.
• Species with the same structure:
  • (3RS,4SR)-dimethylheptane
  • (3RS,4RS)-dimethylheptane
  • (3RS,5SR)-dimethylheptane
  • (3RS,5RS)-dimethylheptane
• Other names: 2-Methyloctane; Isononane
• Information on this page:
  • Phase change data
  • Henry's Law data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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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 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy of fusion

Henry's Law data

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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 by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

References

Go To: Top, Phase change data, Henry's Law data, Notes

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

Mears, Fookson, et al., 1950
Mears, T.W.; Fookson, A.; Pomerantz, P.; Rich, E.H.; Dussinger, C.S.; Howard, F.L., Syntheses and Properties of Two Olefins, Six Paraffins, and Their Intermediates, J. Res. Natl. Bur. Stand. (U. S.), 1950, 44, 299. [all data]

Whitmore and Southgate, 1938
Whitmore, F.C.; Southgate, H.A., The Nonanes. 2-Methyl, 3-Ethyl, 2,3-dimethylheptane and 2,2,4,4-tetramethylpentane, J. Am. Chem. Soc., 1938, 60, 2571. [all data]

White and Glasgow, 1937
White, J.D.; Glasgow, A.R., Separation of the Three Methyl Octanes from Midcontinent Petroleum, J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 423. [all data]

Daubert, 1996
Daubert, T.E., Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes, J. Chem. Eng. Data, 1996, 41, 365-372. [all data]

Abara, Jennings, et al., 1988
Abara, J.A.; Jennings, D.W.; Kay, W.B.; Teja, A.S., Phase Behavior in the Critical Region of Six Binary Mixtures of 2-Methylalkanes, J. Chem. Eng. Data, 1988, 33, 242. [all data]

Kay and Hissong, 1969
Kay, W.B.; Hissong, D.W., The Critical Properties of Hydrocarbon Mixtures constants, Proc. - Am. Pet. Inst., Div. Refin., 1969, 49, 13. [all data]

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]

Labbauf, Greenshields, et al., 1961
Labbauf, A.; Greenshields, J.B.; Rossini, F.D., Heats of formation, combustion, and vaporization of the 35 nonanes and 75 decanes, J. Chem. Eng. Data, 1961, 6, 261-263. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Helgeson, Owens, et al., 1998
Helgeson, Harold C.; Owens, Christine E.; Knox, Annette M.; Richard, Laurent, Calculation of the Standard Molal Thermodynamic Properties of Crystalline, Liquid, and Gas Organic Molecules at High Temperatures and Pressures, Geochimica et Cosmochimica Acta, 1998, 62, 6, 985-1081, https://doi.org/10.1016/S0016-7037(97)00219-6 . [all data]

Notes

Go To: Top, Phase change data, Henry's Law data, References

• Symbols used in this document:
  

  Pc	Critical pressure
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfusH	Enthalpy of fusion
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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