2,4,6 Tri-tert-butylnitrobenzene

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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-189.9 ± 4.4kJ/molCcbAcree, Bott, et al., 1995 

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
Δfsolid-271.3 ± 4.0kJ/molCcbAcree, Bott, et al., 1995 
Quantity Value Units Method Reference Comment
Δcsolid-10942.1 ± 3.2kJ/molCcbAcree, Bott, et al., 1995 

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

Quantity Value Units Method Reference Comment
Δsub96.4 ± 1.0kJ/molGSVerevkin and Heintz, 2000Based on data from 333. to 368. K.; AC
Δsub81.4 ± 1.8kJ/molVAcree, Bott, et al., 1995ALS
Δsub81.4 ± 1.8kJ/molCAcree, Bott, et al., 1995AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
94.8 ± 1.0351.GSVerevkin and Heintz, 2000Based on data from 333. to 368. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
19.25482.8DSCVerevkin and Heintz, 2000AC

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

IE (eV) Method Reference Comment
8.78PECetinkaya, Lappert, et al., 1983Vertical value

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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