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Benzenamine, N,N-dimethyl-4-nitro-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas62.8 ± 2.6kJ/molCcbAcree, Tucker, et al., 1994 
Deltafgas67.3 ± 1.7kJ/molCcbFurukawa, Murata, et al., 1984 

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
Deltafsolid-38.5 ± 1.6kJ/molCcbAcree, Tucker, et al., 1994 
Deltafsolid-35.4 ± 1.4kJ/molCcbFurukawa, Murata, et al., 1984 
Quantity Value Units Method Reference Comment
Deltacsolid-4538.7 ± 1.2kJ/molCcbAcree, Tucker, et al., 1994 
Deltacsolid-4541.87 ± 0.94kJ/molCcbFurukawa, Murata, et al., 1984 

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, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus436.9KN/ACampbell, 1949Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltasub101.3 ± 2.0kJ/molVAcree, Tucker, et al., 1994ALS
Deltasub101.3 ± 2.0kJ/molMEAcree, Tucker, et al., 1994Based on data from 372. - 393. K.; AC
Deltasub102.7 ± 1.1kJ/molCMurata, Sakiyama, et al., 1985AC
Deltasub102.7 ± 1.0kJ/molCFurukawa, Murata, et al., 1984ALS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
98.7 ± 1.7355.MEStephenson and Malanowski, 1987Based on data from 344. - 366. K. See also Majury, 1956.; 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:


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)896.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity870.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.6 ± 0.1PEEgdell, Green, et al., 1975LLK
8.0PEKhalil, Meeks, et al., 1973Vertical value; LLK

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 Japan AIST/NIMC Database- Spectrum MS-NW- 200
NIST MS number 228397

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: 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 Frolov, et al., 1979
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. 18178
Instrument SFD-2
Melting point 92-93

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Acree, Tucker, et al., 1994
Acree, W.E.; Tucker, S.A.; Pilcher, G.; Toole, G., Enthalpies of combustion of 4-dimethylamino-nitrosobenzene and 4-dimethylaminonitrobenzene, J. Chem. Thermodyn., 1994, 26, 85-90. [all data]

Furukawa, Murata, et al., 1984
Furukawa, J.; Murata, S.; Sakiyama, M.; Seki, S., Thermochemical studies on 3- and 4-nitroanilines and their N,N-dimethyl derivatives, Bull. Chem. Soc. Jpn., 1984, 57, 3058-3061. [all data]

Campbell, 1949
Campbell, T.W., A Convenient Synthes of N,N-Dimethyl-p-nitroaniline and N,N-Dimethyl-o- nitroaniline, J. Am. Chem. Soc., 1949, 71, 740. [all data]

Murata, Sakiyama, et al., 1985
Murata, S.; Sakiyama, M.; Seki, S., Sublimation calorimetric studies using a calvet microcalorimeter, Thermochimica Acta, 1985, 88, 1, 121-126, https://doi.org/10.1016/0040-6031(85)85419-8 . [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]

Majury, 1956
Majury, T.G., Chem. Ind., 1956, 17, 349. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R., Photoelectron spectra of substituted benzenes, Chem. Phys. Lett., 1975, 33, 600. [all data]

Khalil, Meeks, et al., 1973
Khalil, O.S.; Meeks, J.L.; McGlynn, S.P., Electronic spectroscopy of highly polar aromatics. VII. Photoelectron spectra of nitroanilines, J. Am. Chem. Soc., 1973, 95, 5876. [all data]

Frolov, et al., 1979
Frolov, A.N., et al., Zhur. Organ. Khim., 1979, 15, 1915. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References