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:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
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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:
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

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

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]

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]

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

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• Symbols used in this document:
  

  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  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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