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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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 85.7 | 383. | GS | Nass, Lenoir, et al., 1995 | Based on data from 313. to 453. K. |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | SHELL OIL CO., HOUSTON, TEXAS, USA |
| NIST MS number | 34571 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
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
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nass, Lenoir, et al., 1995
Nass, Karen; Lenoir, Dieter; Kettrup, Antonius,
Calculation of the Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons by an Incremental Procedure,
Angew. Chem. Int. Ed. Engl., 1995, 34, 16, 1735-1736, https://doi.org/10.1002/anie.199517351
. [all data]
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
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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