Dodecylcyclohexane

• Formula: C₁₈H₃₆
• Molecular weight: 252.4784
• IUPAC Standard InChI: InChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3 Copy

  
• IUPAC Standard InChIKey: BLRBGKYYWDBAQQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 1795-17-1
• 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: n-Dodecyl cyclohexane; Cyclohexane, dodecyl-
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
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Gas phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of fusion

Entropy of fusion

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, custom temperature program

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH₂ group for several homologous series of hydrocarbons, J. Res. NBS, 1946, 37, 51-56. [all data]

Schlenk, 1951
Schlenk, W., Justus Liebigs Ann. Chem., 1951, 573, 142-62. [all data]

Shakarashvili and Bekauri, 1966
Shakarashvili, T.S.; Bekauri, N.G., Catalytic Conversion of C18 Alkylaromatic and Alkylnapthenic Hydrocarbons, Soobshch. Akad. Nauk Gruz. SSR, 1966, 43, 1, 97. [all data]

Schmidt, 1942
Schmidt, A.W., Physical properties of aliphatic compounds, Ber. Dtsch. Chem. Ges. B, 1942, 75, 1399. [all data]

Parks, Moore, et al., 1949
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A., Thermal Data on Organic Compounds. XXV. Some Heat Capacity, Entropy and Free Energy Data for Nine Hydrocarbons of High Molecular Weight, J. Am. Chem. Soc., 1949, 71, 10, 3386, https://doi.org/10.1021/ja01178a034 . [all data]

Fuchs and Peacock, 1978
Fuchs, R.; Peacock, L.A., Heats of vaporization of monoalkylcyclohexanes by the gas chromatography-calorimetry method, Can. J. Chem., 1978, 56, 2493-24. [all data]

Fuchs and Peacock, 1978, 2
Fuchs, Richard; Peacock, L. Alan, Heats of vaporization of monoalkylcyclohexanes by the gas chromatography -- calorimetry method, Can. J. Chem., 1978, 56, 19, 2493-2498, https://doi.org/10.1139/v78-408 . [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]

Parks and Moore, 1949
Parks, G.S.; Moore, G.E., Vapor pressure and other thermodynamic dta for n-hexadecane and n-dodecylcyclohexane near room temperature, J. Chem. Phys., 1949, 17, 1151-11. [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]

Parks and Moore, 1949, 2
Parks, George S.; Moore, George E., Vapor Pressure and Other Thermodynamic Data for n-Hexadecane and n-Dodecylcyclohexane near Room Temperature, J. Chem. Phys., 1949, 17, 11, 1151, https://doi.org/10.1063/1.1747130 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Parks, Moore, et al., 1949, 2
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A., Thermal data on organic compounds. XXV. Some heat capacity, entropy and free energy data for nine hydrocarbons of high molecular weight, J. Am. Chem. Soc., 1949, 71, 3386-3389. [all data]

Arey J.S., Nelson R.K., et al., 2005
Arey J.S.; Nelson R.K.; Xu L.; Reddy C.M., Using comprehensive two-dimensional gas chromatography retention indices to estimate environmental partitioning properties for a complete set of diesel fuel hydrocarbons, Anal. Chem., 2005, 77, 22, 7172-7182, https://doi.org/10.1021/ac051051n . [all data]

Antheaume and Guiochon, 1965
Antheaume, J.; Guiochon, G., Application de la chromatographie en phase gazeuse à l'étude de la composition des fractions moyennes d'un brut pétrolier, Bull. Soc. Chim. Fr., 1965, 2, 298-307. [all data]

Kenig, Simons, et al., 2005
Kenig, F.; Simons, D.-J.H.; Crich, D.; Cowen, J.P.; Ventura, G.T.; Rehbein-Khalily, T., Structure and distribution of branched aliphatic alkanes with quaternary carbon atoms in Cenomanian and Turonian black shales of Pasquia Hills (Saskatchewan, Canada), Org. Geochem., 2005, 36, 1, 117-138, https://doi.org/10.1016/j.orggeochem.2004.06.014 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy 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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