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1,2,4-Tri-tert-butylbenzene

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Condensed 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
Deltacsolid-11119. ± 3.kJ/molCcbKruerke, Hoogzand, et al., 1961Corresponding «DELTA»fsolid = -251. kJ/mol (simple calculation by NIST; no Washburn corrections)

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

Quantity Value Units Method Reference Comment
Tfus321.15KN/AArnett, Sanda, et al., 1967Uncertainty assigned by TRC = 0.5 K

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:


Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, UV/Visible 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: 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

1,2,4-Tri-tert-butylbenzene = Benzene, 1,3,5-tris(1-methylpropyl)-

By formula: C18H30 = C18H30

Quantity Value Units Method Reference Comment
Deltar93.3 ± 4.2kJ/molEqkArnett, Sanda, et al., 1967, 2liquid phase; solvent: CS2

Gas phase ion energetics 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.60 ± 0.07EIArnett, Sanda, et al., 1967RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C17H27+11.14 ± 0.07CH3EIArnett, Sanda, et al., 1967RDSH

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Dale, 1961
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 13951
Instrument Perkin-Elmer Model 21
Melting point 103-104

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Notes

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

Kruerke, Hoogzand, et al., 1961
Kruerke, U.; Hoogzand, C.; Hubel, W., Uber organometall-komplexe, VI 1.2.4-tri-tert.-butyl-benzol, Chem. Ber., 1961, 94, 2817-2820. [all data]

Arnett, Sanda, et al., 1967
Arnett, E.M.; Sanda, J.C.; Bollinger, J.M.; Barber, M., Crowded benzenes. VI. The strain energy in o-di-tbutylbenzenes, J. Am. Chem. Soc., 1967, 89, 5389. [all data]

Arnett, Sanda, et al., 1967, 2
Arnett, E.M.; Sanda, J.C.; Bollinger, J.M.; Barber, M., Crowded benzenes. VI. The strain energy in o-di-t-butylbenzenes, J. Am. Chem. Soc., 1967, 89, 5389-5400. [all data]

Dale, 1961
Dale, J., Chem. Ber., 1961, 94, 2821. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, References