Perhydropyrene, # 4
- Formula: C16H26
- Molecular weight: 218.3776
- IUPAC Standard InChI: InChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2
- IUPAC Standard InChIKey: BYBPEZLZCGOWIS-UHFFFAOYSA-N
- CAS Registry Number: 16291-77-3
- 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. - Species with the same structure:
- Other names: Perhydropyrene, # 5; Perhydropyrene, # 6; Perhydropyrene, # 7; Perhydropyrene, # 1; Perhydropyrene, # 2; Perhydropyrene, # 3; Perhydropyrene, # 8; Perhydropyrene, # 9; Perhydropyrene
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Gas phase ion energetics data
Go To: Top, 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.7 | PE | Heilbronner, Honegger, et al., 1984 |
Gas Chromatography
Go To: Top, 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 175. | 1768. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
| Capillary | SE-30 | 150. | 1767. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
| Capillary | SE-30 | 175. | 1800. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
| Capillary | SE-30 | 150. | 1800. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1750. | Elizalde-González, Hutfliess, et al., 1996 | 50. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Heilbronner, Honegger, et al., 1984
Heilbronner, E.; Honegger, E.; Zambach, W.; Schmitt, P.; Gunther, H.,
The persistence of ribbon orbitals in polycyclic alkanes,
Helv. Chim. Acta, 1984, 67, 1681. [all data]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [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]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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