Phenol, 2-nitro-
- Formula: C6H5NO3
- Molecular weight: 139.1088
- IUPAC Standard InChI: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
- IUPAC Standard InChIKey: IQUPABOKLQSFBK-UHFFFAOYSA-N
- CAS Registry Number: 88-75-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Phenol, o-nitro-; o-Hydroxynitrobenzene; o-Nitrophenol; 2-Hydroxynitrobenzene; 2-Nitrophenol; o-Nitrofenol; UN 1663
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -31.62 ± 0.33 | kcal/mol | Ccr | Sabbah and Gouali, 1994 | Author was aware that data differs from previously reported values |
| ΔfH°gas | -30.78 ± 0.38 | kcal/mol | Ccb | Finch, Gardner, et al., 1983 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -48.90 ± 0.33 | kcal/mol | Ccr | Sabbah and Gouali, 1994 | Author was aware that data differs from previously reported values |
| ΔfH°solid | -48.37 ± 0.24 | kcal/mol | Ccb | Finch, Gardner, et al., 1983 | |
| ΔfH°solid | -47.64 | kcal/mol | Ccb | Medard, 1954 | Heat of combustion corrected for pressure |
| ΔfH°solid | -50.1 | kcal/mol | Ccb | Swarts, 1914 | See 14SWA2 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -686.19 ± 0.31 | kcal/mol | Ccr | Sabbah and Gouali, 1994 | Author was aware that data differs from previously reported values |
| ΔcH°solid | -686.73 ± 0.15 | kcal/mol | Ccb | Finch, Gardner, et al., 1983 | |
| ΔcH°solid | -687.45 | kcal/mol | Ccb | Medard, 1954 | Heat of combustion corrected for pressure |
| ΔcH°solid | -689.9 | kcal/mol | Ccb | Garner and Abernethy, 1921 | |
| ΔcH°solid | -688.04 | kcal/mol | Ccb | Swarts, 1914 | See 14SWA2 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1998. |
| NIST MS number | 290728 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah and Gouali, 1994
Sabbah, R.; Gouali, M.,
Energetics of intra- and inter-molecular bonds in the three nitrophenols,
Aust. J. Chem., 1994, 47, 1651-1660. [all data]
Finch, Gardner, et al., 1983
Finch, A.; Gardner, P.J.; Wu, D.,
Studies on nitrophenols. Part IV. The standard enthalpies of combustion and formation of 1,2-dihydroxybenzene, 1,2- and 1,4-nitrophenol,
Thermochim. Acta, 1983, 66, 333-342. [all data]
Medard, 1954
Medard, L.,
Tables thermochimiques a l'usage des techniciens des substances explosives,
Mem. Artillerie Fr. Sci. Tech. Armement, 1954, 28, 415-492. [all data]
Swarts, 1914
Swarts, F.,
Sur la chaleur de combustion de quelques derives nitres aromatlques,
Recl. Trav. Chim. Pays-Bas, 1914, 33, 281-298. [all data]
Garner and Abernethy, 1921
Garner, W.E.; Abernethy, C.L.,
Heats of combustion and formation of nitro-compounds. Part I. - Benzene, toluene, phenol and methylaniline series,
Proc. Roy. Soc. London A, 1921, 213-235. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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