Anthracene, 9-nitro-

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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 by: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub27.6 ± 0.1kcal/molMERibeiro da Silva, Amaral, et al., 2006Based on data from 361. to 377. K.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
26.7 ± 0.1369.MERibeiro da Silva, Amaral, et al., 2006Based on data from 361. to 377. K.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference
4.80420.4DSCKestens, Auclair, et al., 2010

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 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
1.43 ± 0.10TDEqHeinis, Chowdhury, et al., 1993ΔGea(423 K)= -31.8 kcal/mol ΔSea=-2.9; B
<1.770 ± 0.050PDMock and Grimsrud, 1989B

Ionization energy determinations

IE (eV) Method Reference Comment
7.86 ± 0.01PEKlasinc, Kovac, et al., 1983LBLHLM
7.88 ± 0.03PEKlasinc, Kovac, et al., 1978Vertical 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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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-7167
NIST MS number 236106

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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

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-12046.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5356.50Pedersen, Durant, et al., 200530. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
CapillarySE-52357.42Boenke and Ballschmiter, 1987Hydrogen, 3. K/min; Column length: 12. m; Tstart: 120. C; Tend: 285. C
CapillarySE-52356.95White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 25. C; Tend: 295. C
CapillarySE-52357.11White, Robbat, et al., 198330. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 25. C; Tend: 295. C
CapillarySE-52356.59White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 300. C
CapillarySE-52356.62White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 300. C
CapillarySE-52356.69White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 300. C
CapillarySE-52357.42Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes357.42Eckel and Kind, 2003Program: not specified
CapillaryOV-101365.7Tucminen, Wickstrom, et al., 1986Program: not specified

References

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

Ribeiro da Silva, Amaral, et al., 2006
Ribeiro da Silva, Manuel A.V.; Amaral, Luísa M.P.F.; Santos, Ana Filipa L.O.M.; Gomes, José R.B., Thermochemistry of nitronaphthalenes and nitroanthracenes, The Journal of Chemical Thermodynamics, 2006, 38, 6, 748-755, https://doi.org/10.1016/j.jct.2005.08.007 . [all data]

Kestens, Auclair, et al., 2010
Kestens, Vikram; Auclair, Guy; Drozdzewska, Katarzyna; Held, Andrea; Roebben, Gert; Linsinger, Thomas, Thermodynamic property values of selected polycyclic aromatic hydrocarbons measured by differential scanning calorimetry, J Therm Anal Calorim, 2010, 99, 1, 245-261, https://doi.org/10.1007/s10973-009-0440-6 . [all data]

Heinis, Chowdhury, et al., 1993
Heinis, T.; Chowdhury, S.; Kebarle, P., Electron Affinities of Naphthalene, Anthracene and Substituted Naphthalenes and Anthracenes, Org. Mass Spectrom., 1993, 28, 4, 358, https://doi.org/10.1002/oms.1210280416 . [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]

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]

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]

Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds., Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c . [all data]

Boenke and Ballschmiter, 1987
Boenke, A.; Ballschmiter, K., Fused quinones as retention index marker in high resolution gas chromatography with electron-capture detection (HRGC/ECD) of oxidized aromatic compounds, Fresenius J. Anal. Chem., 1987, 327, 1, 44-45, https://doi.org/10.1007/BF00474554 . [all data]

White, Robbat, et al., 1983
White, C.M.; Robbat, A., Jr.; Hoes, R.M., Gas chromatographic retention characteristics of nitrated polycyclic aromatic hydrocarbons on SE-52, Chromatographia, 1983, 17, 11, 605-612, https://doi.org/10.1007/BF02261944 . [all data]

Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L., Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices, J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1 . [all data]

Eckel and Kind, 2003
Eckel, W.P.; Kind, T., Use of boiling point-Lee retention index correlation for rapid review of gas chromatography-mass spectrometry data, Anal. Chim. Acta., 2003, 494, 1-2, 235-243, https://doi.org/10.1016/j.aca.2003.08.003 . [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, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References