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Benzene, 1-bromo-4-nitro-

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Phase change data

Go To: Top, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil529.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus397.KN/ATimmermans, 1935Uncertainty assigned by TRC = 205. K; TRC
Tfus398.KN/ABuechner, 1906Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltasub86.6 ± 0.6kJ/molMERibeiro da Silva, Lobo Ferreira, et al., 2010Based on data from 289. - 309. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
86.6 ± 0.6299.MERibeiro da Silva, Lobo Ferreira, et al., 2010Based on data from 289. - 309. K.; AC
88.3303.MEStephenson and Malanowski, 1987Based on data from 293. - 303. K. See also Swan and Mack, 1925.; 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

Go To: Top, Phase change 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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.29 ± 0.10IMREChowdhury, Heinis, et al., 1986«DELTA»Gea(423 K) = -29.0 kcal/mol; «DELTA»Sea (estimated) = -2.0 eu.; B
<1.340 ± 0.050PDMock and Grimsrud, 1989B

Ionization energy determinations

IE (eV) Method Reference Comment
9.8 ± 0.1EIBrown, 1970RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4Br+12.2 ± 0.1NO2EIBrown, 1970RDSH
C6H4OBr+10.6 ± 0.1NOEIBrown, 1970RDSH

Mass spectrum (electron ionization)

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

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-8782
NIST MS number 229160

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References

Go To: Top, 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.

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]

Timmermans, 1935
Timmermans, J., Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds., Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]

Buechner, 1906
Buechner, E.H., Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1906, 54, 665. [all data]

Ribeiro da Silva, Lobo Ferreira, et al., 2010
Ribeiro da Silva, Manuel A.V.; Lobo Ferreira, Ana I.M.C.; Santos, Ana Filipa L.O.M.; Rocha, Inês M., Thermochemical study of the monobromonitrobenzene isomers, The Journal of Chemical Thermodynamics, 2010, 42, 2, 169-176, https://doi.org/10.1016/j.jct.2009.06.008 . [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]

Swan and Mack, 1925
Swan, Thomas H.; Mack, Edward, VAPOR PRESSURES OF ORGANIC CRYSTALS BY AN EFFUSION METHOD, J. Am. Chem. Soc., 1925, 47, 8, 2112-2116, https://doi.org/10.1021/ja01685a005 . [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [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]

Brown, 1970
Brown, P., Kinetic studies in mass spectrometry. IX. Competing [M-NO2] and [M-NO] reactions in substituted nitrobenzenes. Approximate activation energies from ionization and appearance potentials, Org. Mass Spectrom., 1970, 4, 533. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References