Phenol, 4-nitro-
- Formula: C6H5NO3
- Molecular weight: 139.1088
- IUPAC Standard InChI: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
- IUPAC Standard InChIKey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
- CAS Registry Number: 100-02-7
- 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: Phenol, p-nitro-; p-Hydroxynitrobenzene; p-Nitrophenol; Niphen; 4-Hydroxynitrobenzene; 4-Nitrophenol; NCI-C55992; Paranitrofenol; Paranitrofenolo; Paranitrophenol; 4-Nitrofenol; p-Nitrofenol; Rcra waste number U170; 1-Hydroxy-4-nitrobenzene; PNP; NSC 1317
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -49.50 ± 0.26 | kcal/mol | Ccr | Sabbah and Gouali, 1994 | Author was aware that data differs from previously reported values; ALS |
| ΔfH°solid | -50.76 ± 0.24 | kcal/mol | Ccb | Finch, Gardner, et al., 1983 | ALS |
| ΔfH°solid | -54.19 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=-56.50; ALS |
| ΔfH°solid | -50.0 | kcal/mol | Ccb | Swarts, 1914 | See 14SWA2; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -685.59 ± 0.24 | kcal/mol | Ccr | Sabbah and Gouali, 1994 | Author was aware that data differs from previously reported values; ALS |
| ΔcH°solid | -684.32 ± 0.13 | kcal/mol | Ccb | Finch, Gardner, et al., 1983 | ALS |
| ΔcH°solid | -680.91 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=-56.50; ALS |
| ΔcH°solid | -687.0 | kcal/mol | Ccb | Garner and Abernethy, 1921 | ALS |
| ΔcH°solid | -688.23 | kcal/mol | Ccb | Swarts, 1914 | See 14SWA2; ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 34.4 | 283. | Campbell and Campbell, 1941 | T = 273 to 293 K. Value given as Cp = 0.248 cal/g over temperature range 0 to 20°C.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLID (OIL MULL); BAIRD (GRATING); 2 cm-1 resolution
- SOLUTION (ETHYL ETHER); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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]
Rinkenbach, 1930
Rinkenbach, W.H.,
The heats of combustion and formation of aromatic nitro compounds,
J. Am. Chem. Soc., 1930, 52, 115-120. [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]
Campbell and Campbell, 1941
Campbell, A.N.; Campbell, A.J.R.,
The system naphthalene-p-nitrophenol: an experimental investigation of all the variables in an equation of the freezing point curve,
Can. J. Res., 1941, B19, 73-79. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid 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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