2,4,6 Tri-tert-butylnitrobenzene

• Formula: C₁₈H₂₉NO₂
• Molecular weight: 291.4284
• IUPAC Standard InChI: InChI=1S/C18H29NO2/c1-16(2,3)12-10-13(17(4,5)6)15(19(20)21)14(11-12)18(7,8)9/h10-11H,1-9H3 Copy

  
• IUPAC Standard InChIKey: IMDZOFHRUMJNQR-UHFFFAOYSA-N Copy
• CAS Registry Number: 4074-25-3
• 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: 2,4,6-tri-t-Butylnitrobenzene; Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-nitro-; Nitrobenzene, 2,4,6-tri-tert-butyl-; 1,3,5-tri(tert-butyl)-2-nitrobenzene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
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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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of sublimation

Enthalpy of fusion

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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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

Verevkin and Heintz, 2000
Verevkin, Sergey P.; Heintz, Andreas, Thermochemistry of substituted benzenes: quantification of ortho-, para-, meta-, and buttress interactions in alkyl-substituted nitrobenzenes, The Journal of Chemical Thermodynamics, 2000, 32, 9, 1169-1182, https://doi.org/10.1006/jcht.2000.0589 . [all data]

Acree, Bott, et al., 1995
Acree, W.E., Jr.; Bott, S.C.; Tucker, S.A.; Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Pilcher, G., Enthalpies of combustion of 2,2'6,6'-tetraethylazobenzene N,N-dioxide, 2,4,6-tri(1,1-dimethylethyl)nitrosobenzene, and 2,4,6-tri(1,1-dimethylethyl)nitrobenzene, J. Chem. Thermodyn., 1995, 27, 1433-1440. [all data]

Cetinkaya, Lappert, et al., 1983
Cetinkaya, B.; Lappert, M.F.; Suffolk, R.J., Photoelectron spectra of some sterically hindered phenols and related compounds, J. Chem. Res. Synop., 1983, 316. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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