2,4,6 Tri-tert-butylnitrobenzene
- Formula: C18H29NO2
- Molecular weight: 291.4284
- IUPAC Standard InChIKey: IMDZOFHRUMJNQR-UHFFFAOYSA-N
- 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
The 3d structure may be viewed using Java or Javascript. - 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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Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
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 |
---|---|---|---|---|---|
ΔsubH° | 23.0 ± 0.24 | kcal/mol | GS | Verevkin and Heintz, 2000 | Based on data from 333. to 368. K.; AC |
ΔsubH° | 19.5 ± 0.43 | kcal/mol | V | Acree, Bott, et al., 1995 | ALS |
ΔsubH° | 19.5 ± 0.43 | kcal/mol | C | Acree, Bott, et al., 1995 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.7 ± 0.24 | 351. | GS | Verevkin and Heintz, 2000 | Based on data from 333. to 368. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.601 | 482.8 | DSC | Verevkin and Heintz, 2000 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: 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 |
---|---|---|---|
8.78 | PE | Cetinkaya, Lappert, et al., 1983 | Vertical value |
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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