2-tert-Butyltoluene

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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

Quantity Value Units Method Reference Comment
Δfgas-33. ± 2.kJ/molCcbBrown and Domash, 1956Unpublished results

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

Quantity Value Units Method Reference Comment
Tboil473.KN/AAmerican Tokyo Kasei, 1988BS
Tboil473.6KN/ASchlatter and Clark, 1953Uncertainty assigned by TRC = 0.5 K; TRC
Tboil473.60KN/ASerijan, Hipsher, et al., 1949Uncertainty assigned by TRC = 0.2 K; TRC
Tboil473.6KN/ASerijan, Wise, et al., 1949Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus222.83KN/ASerijan, Hipsher, et al., 1949Uncertainty assigned by TRC = 0.1 K; TRC
Tfus222.83KN/ASerijan, Wise, et al., 1949Uncertainty assigned by TRC = 0.15 K; TRC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291508

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

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