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9-Bromoanthracene

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Phase change data

Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference
24.02 ± 0.43315. - 368.MEGoldfarb and Suuberg, 2008

Gas phase ion energetics data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.61 ± 0.10CIDCChen and Cooks, 1995B

Ionization energy determinations

IE (eV) Method Reference Comment
7.58PEKlasinc, Kovac, et al., 1983LBLHLM
7.48 ± 0.03PEKlasinc, Kovac, et al., 1978Vertical value; LLK

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)

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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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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 USAF ACADEMY, COLORADO SPRINGS, COLORADO 80840, J LLOYD PFLUG
NIST MS number 80042

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.


Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-52125.Tanabe, Mitobe, et al., 200030. m/0.32 mm/0.25 «mu»m; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min)
CapillaryDB-5MS2140.Tanabe, Mitobe, et al., 199630. m/0.32 mm/0.25 «mu»m; Program: 50 C(1min)->20C/min->200C->10C/min->280C (1.5min)

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-52125.Kawara, Asada, et al., 200530. m/0.25 mm/0.25 «mu»m; Program: 50 0C (1 min) 20 0C/min -> 150 0C 10 0C/min -> 280 0C
CapillaryDB-52143.Kawata, Mukai, et al., 199630. m/0.25 mm/0.25 «mu»m; Program: 50 0C (1 min) 20 0C/min -> 200 0C 10 0C/min -> 280 0C (2 min)

References

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

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

Goldfarb and Suuberg, 2008
Goldfarb, Jillian L.; Suuberg, Eric M., The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique, The Journal of Chemical Thermodynamics, 2008, 40, 3, 460-466, https://doi.org/10.1016/j.jct.2007.09.006 . [all data]

Chen and Cooks, 1995
Chen, G.D.; Cooks, R.G., Electron affinities of polycyclic aromatic hydrocarbons determined by the kinetic method, J. Mass Spectrom., 1995, 30, 8, 1167, https://doi.org/10.1002/jms.1190300814 . [all data]

Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H., Photoelectron spectra of acenes. Electronic structure and substituent effects, Pure Appl. Chem., 1983, 55, 289. [all data]

Klasinc, Kovac, et al., 1978
Klasinc, L.; Kovac, B.; Schoof, S.; Gusten, H., Photoelectron spectroscopy of 9-substituted anthracenes, Croat. Chem. Acta., 1978, 51, 307. [all data]

Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A., New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry, J. AOAC Int., 2000, 83, 1, 61-77. [all data]

Tanabe, Mitobe, et al., 1996
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M., Monitoring of herbicides in river water by gas chromatography-mass spectrometry and solid-phase extraction, J. Chromatogr. A, 1996, 754, 1-2, 159-168, https://doi.org/10.1016/S0021-9673(96)00221-X . [all data]

Kawara, Asada, et al., 2005
Kawara, K.; Asada, T.; Oikawa, K.; Tanabe, A., Multiresidue determination of pesticides in sediments by ultrasonically assisted extraction and gas chromatography/mass spectrometry, J. AOAC International, 2005, 88, 5, 1440-1451. [all data]

Kawata, Mukai, et al., 1996
Kawata, K.; Mukai, H.; Tanabe, H.; Yasuhara, A., Annual variation of insecticides in precipitation in rural Japan, Bull. Environ. Contam. Toxicol., 1996, 57, 6, 853-858, https://doi.org/10.1007/s001289900268 . [all data]


Notes

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