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:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Phase change data

Go To: Top, Henry's Law data, References, Notes

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

Go To: Top, Phase change data, References, Notes

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
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.