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Benzenamine, 2-bromo-

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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil502.2KN/AWeast and Grasselli, 1989BS
Tboil502.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus305.KN/ABuckingham and Donaghy, 1982BS
Tfus301.8KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Deltasub75.0 ± 1.4kJ/molCRibeiro da Silva, Ferreira, et al., 2006AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
411. - 414.0.064 - 0.071Buckingham and Donaghy, 1982BS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
16.14304.1DSCRibeiro da Silva, Ferreira, et al., 2006AC
20.04305.N/AKhanna, Khetarpal, et al., 1983AC

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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C6H6BrN+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
8.45EIBaldwin, Loudon, et al., 1976

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H6N+12.50BrEIBaldwin, Loudon, et al., 1976 

IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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-8695
NIST MS number 228147

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 Lang (editor), 1975
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. 19007
Instrument Unicam SP 800
Melting point 29.5-31

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-11178.5Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryTR-11173.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 «mu»m, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11173.Gruzdev, Filippova, et al., 201130. m/0.32 mm/0.25 «mu»m, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryUltra-11172.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Ribeiro da Silva, Ferreira, et al., 2006
Ribeiro da Silva, Manuel A.V.; Ferreira, Ana I.M.C.L.; Gomes, José R.B., Experimental and Computational Study on the Thermochemistry of Bromoanilines, Bull. Chem. Soc. Jpn., 2006, 79, 12, 1852-1859, https://doi.org/10.1246/bcsj.79.1852 . [all data]

Khanna, Khetarpal, et al., 1983
Khanna, M.S.; Khetarpal, S.C.; Lal, K.; Bhatnagar, H.L., Thermodynamic studies on melting of some o-, m-, and p-halogen derivatives of aniline, Indian J. Pure Appl. Phys., 1983, 20, 6, 503. [all data]

Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S., The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds, Org. Mass Spectrom., 1976, 11, 1181. [all data]

Lang (editor), 1975
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1975, 20, 33. [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Gruzdev, Alferova, et al., 2011
Gruzdev, I.V.; Alferova, M.V.; Kondratenok, B.M.; Zenkevich, I.G., Gas-chromatographic identification of chloro- and bromosubstituted anilines using retention indices, Rus. J. Anal. Chem., 2011, 66, 5, 519-524. [all data]

Gruzdev, Filippova, et al., 2011
Gruzdev, I.V.; Filippova, M.V.; Zenkevich, I.G.; Kondratenok, B.M., Identification of bromination products of chlorosubstituted anilines in aqueous media by using gas chromatography, Rus. J. Applied Chem., 2011, 84, 10, 1656-1667, https://doi.org/10.1134/S1070427211100132 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]


Notes

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