Naphthalene, 1,5-dinitro-
- Formula: C10H6N2O4
- Molecular weight: 218.1656
- IUPAC Standard InChI: InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H
- 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:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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 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
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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: 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
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: 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 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.