Heptane, 2,2,4-trimethyl-

• Formula: C₁₀H₂₂
• Molecular weight: 142.2817
• IUPAC Standard InChI: InChI=1S/C10H22/c1-6-7-9(2)8-10(3,4)5/h9H,6-8H2,1-5H3 Copy

  
• IUPAC Standard InChIKey: IIYGOARYARWJBO-UHFFFAOYSA-N Copy
• CAS Registry Number: 14720-74-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 2,2,4-Trimethylheptane
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• Information on this page:
  • Phase change data
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

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)

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), Notes

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

Braun, Spooner, et al., 1950
Braun, W.G.; Spooner, D.F.; Fenske, M.R., Raman spectra hydrocarbons and oxygenated compounds, Anal. Chem., 1950, 22, 1074. [all data]

Moersch and Whitmore, 1949
Moersch, G.W.; Whitmore, F.C., Hydrocarbons: ix 2,2,4-trimethylheptane, 2,2,4-trimethyloctane, 2,2,4,6- tetramethylheptane and 2,2,4,5,5-pentamethylhexane, J. Am. Chem. Soc., 1949, 71, 819-21. [all data]

Brooks, Cleaton, et al., 1937
Brooks, D.B.; Cleaton, R.B.; Carter, F.R., Paraffin Hydrocarbons Isolated from Crude Synthetic Isooctane (2,2,4-Trimethylpentane), J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 319. [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]

Notes

Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔvapH°	Enthalpy of vaporization at standard conditions

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