naphtho[2,3-e]pyrene
- Formula: C24H14
- Molecular weight: 302.3680
- IUPAC Standard InChIKey: SRCZXQXKBVWAFC-UHFFFAOYSA-N
- CAS Registry Number: 193-09-9
- 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: Dibenzo[de,qr]naphthacene
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.53 | 50. | Dorofeeva O.V., 1988 | Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1989]). These functions are reproduced in the reference book [ Frenkel M., 1994]. |
22.79 | 100. | ||
33.881 | 150. | ||
46.353 | 200. | ||
65.727 | 273.15 | ||
72.33 ± 0.96 | 298.15 | ||
72.813 | 300. | ||
97.435 | 400. | ||
117.94 | 500. | ||
134.31 | 600. | ||
147.36 | 700. | ||
157.87 | 800. | ||
166.46 | 900. | ||
173.57 | 1000. | ||
179.50 | 1100. | ||
184.50 | 1200. | ||
188.73 | 1300. | ||
192.35 | 1400. | ||
195.45 | 1500. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, 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 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 |
---|---|---|---|
7.35 | PE | Clar and Schmidt, 1979 | LLK |
7.41 ± 0.04 | PE | Boschi, Clar, et al., 1974 | LLK |
7.60 | CTS | Briegleb, 1964 | RDSH |
7.47 | CTS | Matsen, 1956 | RDSH |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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.
Spectrum
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Additional Data
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Source | Zander and Franke, 1968 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 15354 |
Instrument | unknown |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 550.81 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
Capillary | HP-5 | 547.69 | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | HP-5 | 553. | Marynowski, Pieta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | XTI-5 | 539.87 | 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 | 547.71 | 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 | 547.69 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | HP-5MS | 547.71 | Wang, Li, et al., 2007, 2 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Capillary | 5 % Phenyl methyl siloxane | 547.69 | Allen J.O., Durant J.L., et al., 1998 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorofeeva O.V., 1988
Dorofeeva O.V.,
Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1986, 102, 59-66. [all data]
Moiseeva N.F., 1989
Moiseeva N.F.,
Development of Benson group additivity method for estimation of ideal gas thermodynamic properties of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1989, 153, 77-85. [all data]
Frenkel M., 1994
Frenkel M.,
Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]
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]
Boschi, Clar, et al., 1974
Boschi, R.; Clar, E.; Schmidt, W.,
Photoelectron spectra of polynuclear aromatics. III. The effect of nonplanarity in sterically overcrowded aromatic hydrocarbons,
J. Chem. Phys., 1974, 60, 4406. [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]
Zander and Franke, 1968
Zander, M.; Franke, W.H.,
Chem. Ber., 1968, 101, 2404. [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]
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]
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
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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