Phenanthrene, 2-methyl-
- Formula: C15H12
- Molecular weight: 192.2558
- IUPAC Standard InChI: InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3
- IUPAC Standard InChIKey: KANLOADZXMMCQA-UHFFFAOYSA-N
- CAS Registry Number: 2531-84-2
- 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. - Isotopologues:
- Other names: 2-Methylphenanthrene
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Phase change data
Go To: Top, Gas phase ion energetics data, IR 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 330. | K | N/A | Colonge and Kehlstadt, 1955 | Uncertainty assigned by TRC = 3. K; TRC |
| Tfus | 329. | K | N/A | Adkins and Davis, 1949 | Uncertainty assigned by TRC = 3. K; TRC |
| Tfus | 328. | K | N/A | Tatevosyan and Vardanyan, 1949 | Uncertainty assigned by TRC = 4. K; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 430.7 | 0.004 | Aldrich Chemical Company Inc., 1990 | BS |
Gas phase ion energetics data
Go To: Top, Phase change data, IR 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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.9 ± 0.04 | EI | Bonnier, Gelus, et al., 1965 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C13H9+ | 13.8 ± 0.2 | ? | EI | Nounou, 1966 | RDSH |
| C15H9+ | 16.6 ± 0.2 | H2+H | EI | Nounou, 1966 | RDSH |
| C15H10+ | 13.1 ± 0.2 | H2 | EI | Nounou, 1966 | RDSH |
| C15H11+ | 12.9 ± 0.1 | H | EI | Nounou, 1966 | RDSH |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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 (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-400 CM-1); BECKMAN IR-9 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 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 cm-1 resolution
- SOLUTION (SATURATED IN BENZENE); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Colonge and Kehlstadt, 1955
Colonge, J.; Kehlstadt, J.P.,
Condensation of Cyclic Ketones with 2-Methyl-1-butene-3-one II. Hydropheanthrene and Hydrobiphenyl Series,
Bull. Soc. Chim. Fr., 1955, 1955, 504. [all data]
Adkins and Davis, 1949
Adkins, H.; Davis, J.W.,
Catalytic Dehydrogenation of Hydroaromatic Compounds in Benzene II.,
J. Am. Chem. Soc., 1949, 71, 2955. [all data]
Tatevosyan and Vardanyan, 1949
Tatevosyan, G.T.; Vardanyan, A.G.,
Polycyclic Hydroaromatic Ketones II. 3-Keto-7-methyl-1,2,3,9,10,1a-hexahydrophenanthrene,
Zh. Obshch. Khim., 1949, 19, 327. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Bonnier, Gelus, et al., 1965
Bonnier, J.-M.; Gelus, M.; Nounou, P.,
Contribution a l'etude de l'effet inductif et de l'effet d'hyperconjugaison dans quelques methylaromatiques,
J. Chim. Phys., 1965, 10, 1191. [all data]
Nounou, 1966
Nounou, P.,
Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle,
J. Chim. Phys., 1966, 63, 994. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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