Phenanthrene, 2,5-dimethyl-
- Formula: C16H14
- Molecular weight: 206.2824
- IUPAC Standard InChI: InChI=1S/C16H14/c1-11-6-9-15-14(10-11)8-7-13-5-3-4-12(2)16(13)15/h3-10H,1-2H3
- IUPAC Standard InChIKey: ANBPQRLLOPVKIG-UHFFFAOYSA-N
- CAS Registry Number: 3674-66-6
- 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: 2,5-Dimethyl-phenanthrene
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IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (1% IN KI); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (100 g/L IN HEPTANE); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 $$SPECTRAL CONTAMINATION DUE TO SOLVENT AROUND 2820 AND 1425 CM-1 cm-1 resolution
- SOLUTION (50 g/L IN HEPTANE); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 2018. | Asif and Fazeelat, 2006 | Nitrogen, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 290. C |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 341.20 | Sun, Zhou, et al., 2008 | 30. m/0.25 mm/0.25 μm, 50. C @ 2. min, 6. K/min, 300. C @ 16. min |
| Capillary | CP Sil 8 CB | 340.84 | Garrigues, Parlanti, et al., 1987 | 50. m/0.22 mm/0.13 μm, H2, 120. C @ 2. min, 3. K/min; Tend: 270. C |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 340.5 | Zamperlini, Silva, et al., 1997 | 30. m/0.25 mm/0.25 μm, He; Program: 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min) |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Asif and Fazeelat, 2006
Asif, M.; Fazeelat, T.,
Characterization of aromatic hydrocarbons in Dhurnal oil from Northen Indus Basin,
J. Chem. Soc. Pakistan, 2006, 28, 2, 169-175. [all data]
Sun, Zhou, et al., 2008
Sun, P.; Zhou, Q.; Li, G.; Wang, X.; Zhao, Y.; Cao, L.,
fingerprint analysis of polycyclic aromatic hydrocarbons in crude oil by internal standard method,
J. Instrumental Anal., 2008, 27, 4, 344-348. [all data]
Garrigues, Parlanti, et al., 1987
Garrigues, P.; Parlanti, E.; Radke, M.; Bellocq, J.; Willsch, H.; Ewald, M.,
Identification of alkylphenanthrenes in shale oil and coal by liquid and capillary gas chromatography and high-resolution spectrofluorimetry (Shpol'skii effect),
J. Chromatogr., 1987, 395, 217-228, https://doi.org/10.1016/S0021-9673(01)94112-3
. [all data]
Zamperlini, Silva, et al., 1997
Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W.,
Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry,
Chromatographia, 1997, 46, 11/12, 655-663, https://doi.org/10.1007/BF02490527
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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