Benzo[a]fluorene
- Formula: C17H12
- Molecular weight: 216.2772
- IUPAC Standard InChI: InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2
- IUPAC Standard InChIKey: HKMTVMBEALTRRR-UHFFFAOYSA-N
- CAS Registry Number: 30777-18-5
- 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: 1,2-Benzofluorene; 11H-Benzo[a]fluorene; 1,2-benzfluorene
- Information on this page:
- Other data available:
- Options:
Lee's 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | 5 % Phenyl methyl siloxane | 5 % Phenyl methyl siloxane | DB-5MS | DB-5MS | PTE-5 |
| Column length (m) | 30. | 30. | 30. | ||
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 | ||
| Tstart (C) | 50. | 80. | 40. | 40. | 60. |
| Tend (C) | 250. | 300. | 310. | 310. | 300. |
| Heat rate (K/min) | 2. | 8. | 10. | 4. | 8. |
| Initial hold (min) | 2. | 1. | 1. | 1.5 | |
| Final hold (min) | 10. | 12.5 | |||
| I | 366.74 | 366.50 | 366.39 | 366.48 | 366.64 |
| Reference | Skrbic and Onjia, 2006 | Skrbic and Onjia, 2006 | Chen, Keeran, et al., 2002 | Chen, Keeran, et al., 2002 | Wang, Jia, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | DB-5 | SE-54 | SPB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 50. | 50. | 40. |
| Tend (C) | 280. | 300. | 300. | 300. | 300. |
| Heat rate (K/min) | 4. | 15. | 15. | 4. | 4. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 20. | ||||
| I | 366.52 | 359.8 | 359.8 | 366.30 | 366.6 |
| Reference | Piao, Chu, et al., 1999 | Durlak, Biswas, et al., 1998 | Durlak, Biswas, et al., 1998 | Chen, 1996 | Knobloch and Engewald, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | SE-52 | DB-5 | DB-5 | SE-52 |
| Column length (m) | 20. | 25. | 30. | 30. | 20. |
| Carrier gas | He | He | H2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.30 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 130. | 40. | 90. | 40. |
| Tend (C) | 300. | 260. | 280. | 325. | 265. |
| Heat rate (K/min) | 4. | 3. | 4. | 4. | 4. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 5. | ||||
| I | 366.56 | 366.45 | 366.54 | 366.44 | 366.72 |
| Reference | Guillén, Blanco, et al., 1989 | Hasegawa, Muragishi, et al., 1988 | Wise, Benner, et al., 1988 | Tong, Centen, et al., 1985 | Vassilaros, Kong, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SE-52 |
| Column length (m) | 12. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.3 |
| Phase thickness (μm) | 0.34 |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 366.74 |
| Reference | Lee, Vassilaros, et al., 1979 |
| Comment | MSDC-RI |
References
Go To: Top, Lee's 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.
Skrbic and Onjia, 2006
Skrbic, B.; Onjia, A.,
Prediction of Lee Retention Indices of Polycyclic Aromatic Hydrocarbons by Artificial Neural Networks,
J. Chromatorg. A, 2006, 1108, 2, 279-284, https://doi.org/10.1016/j.chroma.2006.01.080
. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Wang, Jia, et al., 2000
Wang, J.; Jia, C.R.; Wong, C.K.; Wong, P.K.,
Characterization of polycyclic aromatic hydrocarbons created in lubricating oils,
Water Air Soil Poll., 2000, 120, 3/4, 381-396, https://doi.org/10.1023/A:1005251618062
. [all data]
Piao, Chu, et al., 1999
Piao, M.; Chu, S.; Zheng, M.; Xu, X.,
Characterization of the combustion products of polyethylene,
Chemosphere, 1999, 39, 9, 1497-1512, https://doi.org/10.1016/S0045-6535(99)00054-5
. [all data]
Durlak, Biswas, et al., 1998
Durlak, S.K.; Biswas, P.; Shi, J.; Bernhard, M.J.,
Characterization of polycyclic aromatic hydrocarbon particulate and gaseous emissions from polystyrene combustion,
Environ. Sci. Technol., 1998, 32, 15, 2301-2307, https://doi.org/10.1021/es9709031
. [all data]
Chen, 1996
Chen, J.,
GC and GC/MS methods for the analysis of polycyclic aromatic hydrocarbon (PAH) in sediment of the grand canal of China,
Toxicol. Environ. Chem., 1996, 54, 1-4, 69-73, https://doi.org/10.1080/02772249609358297
. [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]
Guillén, Blanco, et al., 1989
Guillén, M.D.; Blanco, J.; Bermejo, J.; Blanco, C.G.,
Temperature programmed retention indices of some PAHs on Capillary columns coated with OV-1701 and SE-54,
J. Hi. Res. Chromatogr., 1989, 12, 8, 552-554, https://doi.org/10.1002/jhrc.1240120816
. [all data]
Hasegawa, Muragishi, et al., 1988
Hasegawa, K.; Muragishi, T.; Usami, S.,
Component analysis of coal-derivated heavy oil. Analysis of carcinogenic components in neutral nonpolar fractions,
Nippon Kagaku Kaishi, 1988, 3, 3, 311-320, https://doi.org/10.1246/nikkashi.1988.311
. [all data]
Wise, Benner, et al., 1988
Wise, S.A.; Benner, B.A.; Byrd, G.D.; Chesler, S.N.; Rebbert, R.E.; Schantz, M.M.,
Determination of polycyclic aromatic hydrocarbons in a coal tar standard reference material,
Anal. Chem., 1988, 60, 9, 887-894, https://doi.org/10.1021/ac00160a012
. [all data]
Tong, Centen, et al., 1985
Tong, H.Y.; Centen, J.D.; Karasek, F.W.; Jellum, E.; Helland, P.,
Identification of Trace Organic Compounds in Dimethyl Sulphoxide Solution Using High-Performance Liquid Chromatography and Gas Chromatography-Mass Spectrometry,
J. Chromatogr., 1985, 324, 373-383, https://doi.org/10.1016/S0021-9673(01)81336-4
. [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]
Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M.,
Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043
. [all data]
Notes
Go To: Top, Lee's 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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