Chrysene

• Formula: C₁₈H₁₂
• Molecular weight: 228.2879
• IUPAC Standard InChI: InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H Copy

  
• IUPAC Standard InChIKey: WDECIBYCCFPHNR-UHFFFAOYSA-N Copy
• CAS Registry Number: 218-01-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Isotopologues:
  • Chrysene-D12
• Other names: Benzo[a]phenanthrene; 1,2-Benzophenanthrene; 1,2-Benzphenanthrene; Benz(a)phenanthrene; 1,2,5,6-Dibenzonaphthalene; Rcra waste number U050; Crysene
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• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • NIST Polycyclic Aromatic Hydrocarbon Structure Index
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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, 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

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

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

Miao and Wu, 1999
Miao, X.; Wu, F., Study on retention behaviors of polycyclic aromatic hydrocarbons by gas chromatography in different operation models, J. Instrumental Anal., 1999, 15, 4, 288-292. [all data]

Elizalde-González, Hutfliess, et al., 1996
Elizalde-González, M.P.; Hutfliess, M.; Hedden, K., Retention index system, adsorption characteristics, and sructure correlations of polycyclic aromatic hydrocarbons in fuels, J. Hi. Res. Chromatogr., 1996, 19, 6, 345-352, https://doi.org/10.1002/jhrc.1240190608 . [all data]

Quilliam, Lant, et al., 1985
Quilliam, M.A.; Lant, M.S.; Kaiser-Farrell, C.; McCalla, D.R.; Sheldrake, C.P.; Kerr, A.A.; Lockington, J.N.; Gibson, E.S., Identification of polycyclic aromatic compounds in of poly-mutagenic emissions from steel casting, Biomed. Mass Spectrom., 1985, 12, 4, 143-150, https://doi.org/10.1002/bms.1200120402 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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