Naphthalene, 1,8-dinitro-
- Formula: C10H6N2O4
- Molecular weight: 218.1656
- IUPAC Standard InChIKey: AVCSMMMOCOTIHF-UHFFFAOYSA-N
- CAS Registry Number: 602-38-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,8-Dinitronaphthalene
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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 | 46.2 ± 5.0 | kJ/mol | Ccb | Medard and Thomas, 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = 51.0 kJ/mol; ALS |
ΔfH°solid | 26.7 | kJ/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=2.649; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -4838.8 ± 5.0 | kJ/mol | Ccb | Medard and Thomas, 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4843.8 kJ/mol; ALS |
ΔcH°solid | -4825.8 ± 5.0 | kJ/mol | Ccb | Badoche, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4826.98 kJ/mol; ALS |
ΔcH°solid | -4819.34 | kJ/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=2.649; ALS |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
254.4 | 323. | Satoh and Sogabe, 1941 | T = 0 to 100°C. Mean value.; DH |
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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
78.5 | 568. | A | Stephenson and Malanowski, 1987 | Based on data from 553. to 715. K. |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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- 229 |
NIST MS number | 228182 |
UV/Visible spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Kojima M., 1967 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19805 |
Instrument | Cary 14 |
Melting point | 167 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 360.85 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
Capillary | SE-52 | 360.20 | White, Robbat, et al., 1983 | 30. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 25. C; Tend: 295. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 366.6 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Medard and Thomas, 1955
Medard, L.; Thomas, M.,
Chaleurs de combustion de treize substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1955, 38, 46-63. [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]
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]
Badoche, 1937
Badoche, M.,
Determinations de la chaleur de combustion de quelques derives nitres du naphtalene,
Bull. Soc. Chim. France, 1937, 4, 549-557. [all data]
Satoh and Sogabe, 1941
Satoh, S.; Sogabe, T.,
The heat capacities of some organic compounds containing nitrogen and the atomic heat of nitrogen. (4), Sci.,
Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 246-251. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Kojima M., 1967
Kojima M.,
UV atlas of organic compounds, 1967, 3, E1/34. [all data]
Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R.,
Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds.,
Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c
. [all data]
White, Robbat, et al., 1983
White, C.M.; Robbat, A., Jr.; Hoes, R.M.,
Gas chromatographic retention characteristics of nitrated polycyclic aromatic hydrocarbons on SE-52,
Chromatographia, 1983, 17, 11, 605-612, https://doi.org/10.1007/BF02261944
. [all data]
Tucminen, Wickstrom, et al., 1986
Tucminen, A.; Wickstrom, K.; Pyysalo, H.,
Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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