Naphthalene, 1,5-dinitro-

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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
Δfsolid8.0 ± 1.7kcal/molCcbMedard and Thomas, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = 9.1 kcal/mol; ALS
Δfsolid9.18kcal/molCcbRinkenbach, 1930Author hf298_condensed[kcal/mol]=5.44; ALS
Quantity Value Units Method Reference Comment
Δcsolid-1153.5 ± 1.7kcal/molCcbMedard and Thomas, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -1154.6 kcal/mol; ALS
Δcsolid-1152.1 ± 1.2kcal/molCcbBadoche, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -1152.42 kcal/mol; ALS
Δcsolid-1154.64kcal/molCcbRinkenbach, 1930Author hf298_condensed[kcal/mol]=5.44; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
62.00323.Satoh and Sogabe, 1941T = 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
17.9521.AStephenson and Malanowski, 1987Based 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 ± 0.10IMREHeinis, Chowdhury, et al., 1993ΔGea(423 K)= -39.3 kcal/mol , ΔSea=-3.2 (entropy estimated)
<2.250 ± 0.050PDMock 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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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

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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

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