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Benzenamine, 2-nitro-N-phenyl-

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid77. ± 2.kJ/molCcbContineanu and Marchidan, 1992 
Deltafsolid64.5 ± 6.3kJ/molCcbTavernier and Lamouroux, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = 77.07 kJ/mol; Author's hf298_condensed=12.65 kcal/mol
Quantity Value Units Method Reference Comment
Deltacsolid-6228. ± 2.kJ/molCcbContineanu and Marchidan, 1992 
Deltacsolid-6215.8 ± 6.3kJ/molCcbTavernier and Lamouroux, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -6228.39 kJ/mol; Author's hf298_condensed=12.65 kcal/mol

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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus347.9KN/AWitschonke, 1954Metastable crystal phase; Uncertainty assigned by TRC = 0.3 K; TRC
Tfus348.1KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Tfus348.1KN/AWitschonke, 1954Crystal phase 1 phase; Uncertainty assigned by TRC = 0.15 K; TRC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
100.9340.5AStephenson and Malanowski, 1987Based on data from 335. - 346. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction 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 by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C12H9N2O2- + Hydrogen cation = Benzenamine, 2-nitro-N-phenyl-

By formula: C12H9N2O2- + H+ = C12H10N2O2

Quantity Value Units Method Reference Comment
Deltar1374. ± 8.4kJ/molIMREKoppel, Koppel, et al., 1998gas phase

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

De-protonation reactions

C12H9N2O2- + Hydrogen cation = Benzenamine, 2-nitro-N-phenyl-

By formula: C12H9N2O2- + H+ = C12H10N2O2

Quantity Value Units Method Reference Comment
Deltar1374. ± 8.4kJ/molIMREKoppel, Koppel, et al., 1998gas phase

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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Mass 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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291180

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Perkampus and Braunschweig, 1966
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. 19845
Instrument Zeiss PMQ II
Melting point 75

Gas Chromatography

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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

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedOV-1011886.Alley and Dykes, 19726. K/min; Tstart: 70. C; Tend: 220. C

Lee's RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryOV-101335.7Tucminen, Wickstrom, et al., 1986Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

Contineanu and Marchidan, 1992
Contineanu, I.; Marchidan, D.I., The enthalpies of combustion and formation of 2-nitrodiphenylamine and 2,2', 4,4', 6,6'-hexanitrodibenzyl, Rev. Roum. Chim., 1992, 37, 11-12. [all data]

Tavernier and Lamouroux, 1957
Tavernier, P.; Lamouroux, M., Determinations calorimetriques relatives a vingt et une substances organiques, Mem. Poudres, 1957, 39, 335-356. [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]

Witschonke, 1954
Witschonke, C.R., Freezing point and purity data for some organic compounds, Anal. Chem., 1954, 26, 562-4. [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]

Koppel, Koppel, et al., 1998
Koppel, I.; Koppel, J.; Maria, P.C.; Gal, J.F.; Notario, R.; Vlasov, V.M.; Taft, R.W., Comparison of Bronsted acidities of neutral NH-acids in gas phase, dimethyl sulfoxide and water, Int. J. Mass Spectrom., 1998, 175, 1-2, 61-69, https://doi.org/10.1016/S0168-1176(98)00113-X . [all data]

Perkampus and Braunschweig, 1966
Perkampus, H.-H.; Braunschweig, T.H., UV atlas of organic compounds, 1966, 2, D11/20. [all data]

Alley and Dykes, 1972
Alley, B.J.; Dykes, H.W.H., Gas-Liquid Chromatographic Determination of Nitrate Esters,Stabilizers and Plasticizers in Nitrocellulose-Base Propellants, J. Chromatogr., 1972, 71, 1, 23-37, https://doi.org/10.1016/S0021-9673(01)85687-9 . [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, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References