Benzene, (1-methylnonyl)-

• Formula: C₁₆H₂₆
• Molecular weight: 218.3776
• IUPAC Standard InChI: InChI=1S/C16H26/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: DDTJIQUCOLHYDL-UHFFFAOYSA-N Copy
• CAS Registry Number: 4537-13-7
• 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: Decane, 2-phenyl-; (2-Decyl)benzene; (1-Methylnonyl)benzene
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

=

By formula: C₁₆H₂₆ = C₁₆H₂₆

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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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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Lee's RI, non-polar column, custom temperature program

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References

Go To: Top, Phase change data, Reaction thermochemistry data, 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.

Plaskunova, Shapovalova, et al., 1986
Plaskunova, S.L.; Shapovalova, I.M.; Serebryakov, B.P., Azerb. Khim. Zh., 1986, No. 4, 96-9. [all data]

Tilicheev, 1938
Tilicheev, M.D., The critical solution temperatures in aniline of the aromatic hydrocarbons and paraffins of normal structure, Khim. Tverd. Topl. (Leningrad), 1938, 9, 181-6. [all data]

Pimerzin, Nesterova, et al., 1986
Pimerzin, A.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes, J. Chem. Thermodyn., 1986, 17, 641-648. [all data]

Pimerzin, Nesterova, et al., 1985
Pimerzin, a.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes, J. Chem. Thermodyn., 1985, 17, 641-648. [all data]

Lesko, Holotík, et al., 1976
Lesko, J.; Holotík, S.; Krupcík, J.; Veselý, V., Gas Chromatographic and Mass Spectrometric Analysis of a Commercial Mixture of Phenylalkanes (Detergent Alkylates), J. Chromatogr., 1976, 119, 293-306, https://doi.org/10.1016/S0021-9673(00)86793-X . [all data]

Schomburg, 1966
Schomburg, G., Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe, J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4 . [all data]

Peng, Hua, et al., 1992
Peng, C.T.; Hua, R.L.; Maltby, D., Prediction of retention indexes. IV. Chain branching in alkylbenzene isomers with C₁₀-₁₃ alkyl chains identified in a scintillator solvent, J. Chromatogr., 1992, 589, 1-2, 231-239, https://doi.org/10.1016/0021-9673(92)80027-R . [all data]

Peng, 1996
Peng, C.T., Gas chromatographic identification of aromatic hydrocarbons in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]

Peterman and Delfino, 1990
Peterman, P.H.; Delfino, J.J., Identification of isopropylbiphenyl, alkyl diphenylmethanes, diisopropylnaphthalene, linear alkyl benzenes and other polychlorinated biphenyl replacement compounds in effluents, sediments and fish in the Fox River system, Wisconsin, Biomed. Environ. Mass Spectrom., 1990, 19, 12, 755-770, https://doi.org/10.1002/bms.1200191203 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔrH°	Enthalpy of reaction at standard conditions

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