Naphtho[2,3-a]pyrene
- Formula: C24H14
- Molecular weight: 302.3680
- IUPAC Standard InChI: InChI=1S/C24H14/c1-2-5-18-14-22-20(12-17(18)4-1)13-19-9-8-15-6-3-7-16-10-11-21(22)24(19)23(15)16/h1-14H
- IUPAC Standard InChIKey: AXSJLZJXXUBRBS-UHFFFAOYSA-N
- CAS Registry Number: 196-42-9
- 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. - Other names: Naphtho[2,1,8-qra]naphthacene
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.82 | PE | Clar and Schmidt, 1979 | LLK |
| 7.00 | CTS | Briegleb, 1964 | RDSH |
| 6.70 | CTS | Matsen, 1956 | RDSH |
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
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 555.5 | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
| Capillary | DB-5MS | 556.4 | Sauvain and Duc, 2004 | 30. m/0.25 mm/0.25 μm, 60. C @ 3. min, 5. K/min, 320. C @ 20. min |
| Capillary | XTI-5 | 544.08 | Engkvist, Borowski, et al., 1996 | 15. m/0.28 mm/0.25 μm, H2, 70. C @ 2. min, 5. K/min; Tend: 350. C |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 551.1 | Wang, Li, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min) |
| Capillary | HP-5MS | 551.10 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | HP-5MS | 555.50 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | 5 % Phenyl methyl siloxane | 555.5 | Allen J.O., Durant J.L., et al., 1998 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Clar and Schmidt, 1979
Clar, E.; Schmidt, W.,
Correlations between photoelectron and UV absorption spectra of polycyclic hydrocarbons. The pyrene series,
Tetrahedron, 1979, 35, 1027. [all data]
Briegleb, 1964
Briegleb, G.,
Electron affinity of organic molecules,
Angew. Chem. Intern. Ed., 1964, 3, 617. [all data]
Matsen, 1956
Matsen, F.A.,
Electron affinities, methyl affinities, and ionization energies of condensed ring aromatic hydrocarbons,
J. Chem. Phys., 1956, 24, 602. [all data]
Marynowski, Pieta, et al., 2004
Marynowski, L.; Pieta, M.; Janeczek, J.,
Composition and source of polycyclic aromatic compounds in deposited dust from selected sites around the Upper Silesia, Poland,
Geol. Q., 2004, 48, 2, 169-180. [all data]
Sauvain and Duc, 2004
Sauvain, J.-J.; Duc, T.V.,
Approaches to identifying and quantifying polycyclic aromatic hydrocarbons of molecular weight 302 in diesel particulates,
J. Sep. Sci., 2004, 27, 1-2, 78-88, https://doi.org/10.1002/jssc.200301620
. [all data]
Engkvist, Borowski, et al., 1996
Engkvist, O.; Borowski, P.; Bemgård, A.; Karlström, G.; Lindh, R.; Colmsjö, A.,
On the relation between retention indexes and the interaction between the solute and the column in gas-liquid chromatography,
J. Chem. Inf. Comput. Sci., 1996, 36, 6, 1153-1161, https://doi.org/10.1021/ci960345u
. [all data]
Wang, Li, et al., 2007
Wang, Z.; Li, K.; Lambert, P.; Yang, C.,
Identification, characterization and quantitation of pyrogenic polycylic aromatic hydrocarbons and other organic compounds in tire fire products,
J. Chromatogr. A, 2007, 1139, 1, 14-26, https://doi.org/10.1016/j.chroma.2006.10.085
. [all data]
Wang, Li, et al., 2007, 2
Wang, Z.; Li, K.; Lambert, P.; Brown, C.E.; Yang, C.; Hollebone, B.P.,
Identification and characterization of polycyclic aromatic compounds in tire fire products and differentiation of pyrogenic PAHs from petrogenic PAHs
in Proceedings of the 30th Arctic and Marine Oilspill (AMOP) Technical Seminar. Vol.1, 2007, 61-85. [all data]
Allen J.O., Durant J.L., et al., 1998
Allen J.O.; Durant J.L.; Dookeran N.M.; Taghizadeh K.; Plummer E.F.; Lafleur A.L.; Sarofim A.F.; Smith K.A.,
Measurement of C24H14 polycyclic aromatic hydrocarbons associated with a size-segregated urban aerosol,
Environ. Sci. Technol., 1998, 32, 13, 1928-1932, https://doi.org/10.1021/es970919r
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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