Phenanthrene, 4,5-dimethyl-
- Formula: C16H14
- Molecular weight: 206.2824
- IUPAC Standard InChI: InChI=1S/C16H14/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13/h3-10H,1-2H3
- IUPAC Standard InChIKey: GWWHAAHVHHLOQW-UHFFFAOYSA-N
- CAS Registry Number: 3674-69-9
- 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: 4,5-Dimethylphenanthrene; 4,5-methylphenanthrene
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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 (50 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 2800 AND 1450 CM-1 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-101 | 230. | 1963. | Grimmer and Böhnke, 1975 | Gas Chrom Q; Column length: 10. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1979.8 | Zhang, Shen, et al., 2000 | 25. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-101 | 1963. | Kaliszan and Lamparczyk, 1978 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 327.16 | Garrigues, Parlanti, et al., 1987 | 50. m/0.22 mm/0.13 μm, H2, 120. C @ 2. min, 3. K/min; Tend: 270. C |
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.
Grimmer and Böhnke, 1975
Grimmer, G.; Böhnke, H.,
Polycyclic aromatic hydrocarbon profile analysis of high-protein foods, oils, and fats by gas chromatography,
J. Ass. Offic. Anal. Chem, 1975, 58, 4, 725-733. [all data]
Zhang, Shen, et al., 2000
Zhang, M.-J.; Shen, S.-D.; Chen, S.-Y.; Sun, Y.-H.,
Analysis of heavy oil fractions in high-temperature coal tar by capillary gas chromatography/fourier transform infrared spectrometry,
Chin. J. Chromatogr., 2000, 18, 3, 241-246. [all data]
Kaliszan and Lamparczyk, 1978
Kaliszan, R.; Lamparczyk, H.,
A Relationship between the Connectivity Indices and Retention Indices of Polycyclic Aromatic Hydrocarbons,
J. Chromatogr. Sci., 1978, 16, 6, 246-248, https://doi.org/10.1093/chromsci/16.6.246
. [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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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