2-tert-Butyltoluene

• Formula: C₁₁H₁₆
• Molecular weight: 148.2447
• IUPAC Standard InChI: InChI=1S/C11H16/c1-9-7-5-6-8-10(9)11(2,3)4/h5-8H,1-4H3 Copy

  
• IUPAC Standard InChIKey: AXHVNJGQOJFMHT-UHFFFAOYSA-N Copy
• CAS Registry Number: 1074-92-6
• 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: 1-tert-Butyl-2-methylbenzene; o-tert-Butyltoluene; Benzene, 1-(1,1-dimethylethyl)-2-methyl-; Toluene, o-tert-butyl-; 1-Methyl-2-tert-butylbenzene; 2-t-Butyltoluene; o-t-Butyltoluene
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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

References

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

Brown and Domash, 1956
Brown, H.C.; Domash, L., Steric effects in displacement reactions. XI. The heats of reaction of diborane with pyridine bases. Steric strains in homomorphs of o-t-butyltoluene and hemimellitene, J. Am. Chem. Soc., 1956, 78, 5384-5386. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Schlatter and Clark, 1953
Schlatter, M.J.; Clark, R.D., T-alkyl groups: I orientation of t-alkylation products of toluene and ethylbenzene, J. Am. Chem. Soc., 1953, 75, 361-9. [all data]

Serijan, Hipsher, et al., 1949
Serijan, K.T.; Hipsher, H.F.; Gibbons, L.C., O-, m- and p-t-butyltoluenes, J. Am. Chem. Soc., 1949, 71, 873-5. [all data]

Serijan, Wise, et al., 1949
Serijan, K.T.; Wise, P.H.; Gibbons, L.C., The physical properties of five isomeric methyl-t-butylcyclohexanes, J. Am. Chem. Soc., 1949, 71, 2265-6. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

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