1-tert-Butyl-2-nitrobenzene
- Formula: C10H13NO2
- Molecular weight: 179.2157
- IUPAC Standard InChI: InChI=1S/C10H13NO2/c1-10(2,3)8-6-4-5-7-9(8)11(12)13/h4-7H,1-3H3
- IUPAC Standard InChIKey: IWTHGPTVKBEURV-UHFFFAOYSA-N
- CAS Registry Number: 1886-57-3
- 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: Benzene, 1-(1,1-dimethylethyl)-2-nitro-; 1-tert-Butyl-4-nitrobenzene
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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 15.5 ± 0.1 | kcal/mol | GS | Verevkin and Heintz, 2000 | Based on data from 278. to 323. K.; AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 523.7 | 1.01 | Weast and Grasselli, 1989 | BS |
| 387.7 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 15.5 ± 0.1 | 301. | GS | Verevkin and Heintz, 2000 | Based on data from 278. to 323. K.; AC |
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.
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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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