1-Nitropyrene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, 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

ΔsubH (kcal/mol) Temperature (K) Method Reference
29.92 ± 0.91379. to 408.MEGoldfarb and Suuberg, 2008

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference
4.52425.9DSCKestens, Auclair, et al., 2010

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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 M. OEHME, NORW. INST. AIR RES., LILLESTROM, NORWAY
NIST MS number 101258

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, 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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5421.53Pedersen, Durant, et al., 200530. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
CapillarySPB-5420.6Knobloch and Engewald, 199340. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C
CapillarySE-52421.48Boenke and Ballschmiter, 1987Hydrogen, 3. K/min; Column length: 12. m; Tstart: 120. C; Tend: 285. C
CapillarySE-52421.08White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 25. C; Tend: 295. C
CapillarySE-52421.13White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 300. C
CapillarySE-52421.18White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 300. C
CapillarySE-52421.39White, Robbat, et al., 198330. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 300. C
CapillarySE-52421.48Vassilaros, 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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5419.25Ciccioli, Cecinato, et al., 1988Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: 30 0C 20 0C/min -> 180 0C (3 min) 3 0C/min -> 270 0C
CapillaryDB-5421.08Ciccioli, Cecinato, et al., 1988Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: not specified
CapillaryDB-5421.26Ciccioli, Cecinato, et al., 1988Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: not specified
CapillaryDB-5421.27Ciccioli, Cecinato, et al., 1988Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: not specified
CapillaryOV-101425.5Tucminen, Wickstrom, et al., 1986Program: not specified

References

Go To: Top, Phase change 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.

Goldfarb and Suuberg, 2008
Goldfarb, Jillian L.; Suuberg, Eric M., VAPOR PRESSURES AND THERMODYNAMICS OF OXYGEN-CONTAINING POLYCYCLIC AROMATIC HYDROCARBONS MEASURED USING KNUDSEN EFFUSION, Environ Toxicol Chem, 2008, 27, 6, 1244, https://doi.org/10.1897/07-486.1 . [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]

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]

Knobloch and Engewald, 1993
Knobloch, T.; Engewald, W., Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves, J. Hi. Res. Chromatogr., 1993, 16, 4, 239-242, https://doi.org/10.1002/jhrc.1240160407 . [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]

Ciccioli, Cecinato, et al., 1988
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Liberti, A., Short capillary column for the separation and identification of mononitrofluoranthene and mononitropyrene isomers present in air and emission samples, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 4, 306-312, https://doi.org/10.1002/jhrc.1240110402 . [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, Mass spectrum (electron ionization), Gas Chromatography, References