Naphthalene, 1,5-dinitro-
- Formula: C10H6N2O4
- Molecular weight: 218.1656
- IUPAC Standard InChIKey: ZUTCJXFCHHDFJS-UHFFFAOYSA-N
- CAS Registry Number: 605-71-0
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: 1,5-Dinitronaphthalene
- Information on this page:
- Other data available:
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Condensed phase thermochemistry 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:
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 | 8.0 ± 1.7 | kcal/mol | Ccb | Medard and Thomas, 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = 9.1 kcal/mol; ALS |
ΔfH°solid | 9.18 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=5.44; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1153.5 ± 1.7 | kcal/mol | Ccb | Medard and Thomas, 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1154.6 kcal/mol; ALS |
ΔcH°solid | -1152.1 ± 1.2 | kcal/mol | Ccb | Badoche, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1152.42 kcal/mol; ALS |
ΔcH°solid | -1154.64 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=5.44; ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
62.00 | 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 (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.9 | 521. | A | Stephenson and Malanowski, 1987 | Based on data from 506. to 642. K. |
Gas phase ion energetics 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: John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.77 ± 0.10 | IMRE | Heinis, Chowdhury, et al., 1993 | ΔGea(423 K)= -39.3 kcal/mol , ΔSea=-3.2 (entropy estimated) |
<2.250 ± 0.050 | PD | Mock and Grimsrud, 1989 |
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-IW-2675 |
NIST MS number | 238606 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
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]
Heinis, Chowdhury, et al., 1993
Heinis, T.; Chowdhury, S.; Kebarle, P.,
Electron Affinities of Naphthalene, Anthracene and Substituted Naphthalenes and Anthracenes,
Org. Mass Spectrom., 1993, 28, 4, 358, https://doi.org/10.1002/oms.1210280416
. [all data]
Mock and Grimsrud, 1989
Mock, R.S.; Grimsrud, E.P.,
Gas-Phase Electron Photodetachment Spectroscopy of the Molecular Anions of Nitroaromatic Hydrocarbons at Atmospheric Pressure,
J. Am. Chem. Soc., 1989, 111, 8, 2861, https://doi.org/10.1021/ja00190a020
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid EA Electron affinity 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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