Phenol, 2,6-dinitro-
- Formula: C6H4N2O5
- Molecular weight: 184.1064
- IUPAC Standard InChIKey: JCRIDWXIBSEOEG-UHFFFAOYSA-N
- CAS Registry Number: 573-56-8
- 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: o-Dinitrophenol; Phenol, β-dinitro-; 2,6-Dinitrophenol; β-Dinitrophenol; 2,6-Dinitrofenol; Dinitro-2,6-phenol
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Condensed phase thermochemistry data
Go To: Top, Phase change 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 | -50.11 ± 0.78 | kcal/mol | Ccb | Finch and Smith, 1983 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -650.83 ± 0.76 | kcal/mol | Ccb | Finch and Smith, 1983 | |
ΔcH°solid | -650.77 ± 0.65 | kcal/mol | Ccb | Badoche, 1942 | Reanalyzed by Cox and Pilcher, 1970, Original value = -651.43 kcal/mol |
Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tfus | 336.0 | K | N/A | Poeti, Faneli, et al., 1982 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 385. | K | N/A | Buechner, 1906 | Uncertainty assigned by TRC = 3. K; TRC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.8 ± 1.0 | 313. | N/A | Hoyer and Peperle, 1958 | Based on data from 293. to 333. K. See also Cox and Pilcher, 1970, 2.; AC |
26.8 ± 1.0 | 293. | V | Hoyer and Peperle, 1958, 2 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 26.1 kcal/mol; ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.6790 | 336.0 | Poeti, Fanelli, et al., 1982 | DH |
5.476 | 329. | Musuc, Razus, et al., 2002 | AC |
4.680 | 336. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.92 | 336.0 | Poeti, Fanelli, et al., 1982 | DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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: 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 | Japan AIST/NIMC Database- Spectrum MS-NW-4174 |
NIST MS number | 231260 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Finch and Smith, 1983
Finch, A.; Smith, A.E.,
Thermochemistry of nitrophenols. V. Enthalpies of formation of 2,4- and 2,6-dinitrophenols,
Thermochim. Acta, 1983, 69, 375-378. [all data]
Badoche, 1942
Badoche, M.,
Chaleurs de combustion de derives nitres phenoliques,
Bull. Soc. Chim. France, 1942, 9, 86-95. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Poeti, Faneli, et al., 1982
Poeti, G.; Faneli, E.; Braghetti, M.J.,
A differential scanning calorimetric study of some phenol derivatives,
Therm. Anal., 1982, 24, 2, 273, https://doi.org/10.1007/BF01913681
. [all data]
Buechner, 1906
Buechner, E.H.,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1906, 54, 665. [all data]
Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W.,
Z. Elektrochem., 1958, 62, 61. [all data]
Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Hoyer and Peperle, 1958, 2
Hoyer, H.; Peperle, W.,
Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen,
Z. Electrochem., 1958, 62, 61-66. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Poeti, Fanelli, et al., 1982
Poeti, G.; Fanelli, E.; Braghetti, M.,
A differential scanning calorimetric study of some phenol derivatives,
J. Therm. Anal., 1982, 24(2), 273-279. [all data]
Musuc, Razus, et al., 2002
Musuc, A.M.; Razus, D.; Oancea, D.,
Analele Universitatii Bucuresti Chimie, 2002, 11, 2, 147. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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