3-Methylcholanthrene
- Formula: C21H16
- Molecular weight: 268.3517
- IUPAC Standard InChIKey: PPQNQXQZIWHJRB-UHFFFAOYSA-N
- CAS Registry Number: 56-49-5
- 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. - Other names: Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-; Cholanthrene, 3-methyl-; Methylcholanthrene; 20-Methylcholanthrene; 20-MC; 3-MC; 3-Methylcholanthrene-(20); MC; MCA; 3-MCA; Rcra waste number U157; 1,2-Dihydro-3-methylbenz[j]aceanthrylene; Cholanthrene, 20(3)-methyl; NSC 21970
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Phase change data
Go To: Top, Gas phase ion energetics data, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 442.4 | K | N/A | Kelley and Rice, 1964 | Uncertainty assigned by TRC = 0.8 K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
553.2 | 0.11 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
93.8 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
127.2 ± 2.4 | 413. | A | Stephenson and Malanowski, 1987 | Based on data from 401. to 425. K. See also Kelley and Rice, 1964, 2.; AC |
127.2 | 401. | V | Kelley and Rice, 1964, 3 | ALS |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
7.66 | CTS | Slifkin and Allison, 1967 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kelley and Rice, 1964
Kelley, J.D.; Rice, F.O.,
The Vapor Presures of Some Polynumclear Aromatic Hydrocarbons,
J. Phys. Chem., 1964, 68, 3794-6. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank,
Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons,
J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Kelley and Rice, 1964, 2
Kelley, J. Daniel; Rice, Francis Owen,
The Vapor Pressures of Some Polynuclear Aromatic Hydrocarbons 1,
J. Phys. Chem., 1964, 68, 12, 3794-3796, https://doi.org/10.1021/j100794a043
. [all data]
Kelley and Rice, 1964, 3
Kelley, J.D.; Rice, F.O.,
The vapor pressures of some polynuclear aromatic hydrocarbons,
J. Phys. Chem., 1964, 68, 3794. [all data]
Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C.,
Measurement of ionization potentials from contact charge transfer spectra,
Nature, 1967, 215, 949. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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