4,4'-di-tert-Butylbiphenyl

• Formula: C₂₀H₂₆
• Molecular weight: 266.4204
• IUPAC Standard InChI: InChI=1S/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3 Copy

  
• IUPAC Standard InChIKey: CDKCEZNPAYWORX-UHFFFAOYSA-N Copy
• CAS Registry Number: 1625-91-8
• 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: 4,4'-di-t-Butylbiphenyl; 1,1'-Biphenyl, 4,4'-bis(1,1-dimethylethyl)-; 4,4'-di-tert-butyl-1,1'-biphenyl
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

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

= C₂₀H₂₆

By formula: C₂₀H₂₆ = C₂₀H₂₆

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

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

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

Romadane and Berga, 1958
Romadane, I.A.; Berga, S.E., Alkylation of Biphenyl with Alcohols in the Presence of Boron Trifluoride- phosphoric Acid Catalyst, Zh. Obshch. Khim., 1958, 28, 413-7. [all data]

Knauf and Adams, 1933
Knauf; Adams, J.S., J. Am. Chem. Soc., 1933, 55, 4704. [all data]

Chichibabin, Elgazin, et al., 1928
Chichibabin, A.E.; Elgazin; Lengold, Zh. Russ. Fiz.-Khim. O-va., Chast Khim., 1928, 60, 347. [all data]

Schreiner, 1910
Schreiner, E., J. Prakt. Chem., 1910, 81, 422. [all data]

Nti-Gyabaah, Chan, et al., 2009
Nti-Gyabaah, J.; Chan, V.; Chiew, Y.C., Solubility and limiting activity coefficient of simvastatin in different organic solvents, Fluid Phase Equilibria, 2009, 280, 1-2, 35-41, https://doi.org/10.1016/j.fluid.2009.03.006 . [all data]

Melkhanova, Pimenova, et al., 2009
Melkhanova, Svetlana V.; Pimenova, Svetlana M.; Chelovskaya, Nelly V.; Miroshnichenko, Eugenii A.; Pashchenko, Larisa L.; Nesterov, Igor A.; Naumkin, P.V., Thermochemical studies of 4-tert-butylbiphenyl and 4,4´-di-tert-butylbiphenyl, The Journal of Chemical Thermodynamics, 2009, 41, 5, 651-653, https://doi.org/10.1016/j.jct.2008.12.015 . [all data]

Näther, Jeß, et al., 2002
Näther, Christian; Jeß, Inke; Havlas, Zdenek; Bolte, Michael; Nagel, Norbert; Nick, Sabine, Trimorphism of 4,4´-Di(tert.-butyl)-biphenyl: structural, thermodynamic and kinetic aspects, Solid State Sciences, 2002, 4, 6, 859-871, https://doi.org/10.1016/S1293-2558(02)01324-9 . [all data]

Roshchupkina, Nesterova, et al., 1987
Roshchupkina, I.Yu.; Nesterova, T.N.; Rozhnov, A.M., Equilibria of isomeric transformations of alkylbiphenyls, J. Chem. Thermodyn., 1987, 19, 299-306. [all data]

Notes

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

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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