Benz[a]anthracene, 1,12-dimethyl-
- Formula: C20H16
- Molecular weight: 256.3410
- IUPAC Standard InChI: InChI=1S/C20H16/c1-13-6-5-8-15-10-11-17-12-16-7-3-4-9-18(16)14(2)20(17)19(13)15/h3-12H,1-2H3
- IUPAC Standard InChIKey: XDOAGYHDDFESMV-UHFFFAOYSA-N
- CAS Registry Number: 313-74-6
- 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: 1,12-Dimethylbenz[a]anthracene; 1',9-Dimethyl-1,2-benzanthracene; Benz[b]anthracene, 7,12-dimethyl; 1,12-Dimethylbenzo[a]anthracene
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Condensed phase thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 138.9 ± 2.8 | kJ/mol | Ccb | Frisch, Barker, et al., 1963 | see Karnes, Kybett, et al., 1965 and Frisch, 1962 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -10295.8 ± 2.0 | kJ/mol | Ccb | Frisch, Barker, et al., 1963 | see Karnes, Kybett, et al., 1965 and Frisch, 1962; Corresponding ΔfHºsolid = 139.0 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 88.9 | 398. | GC | Lei, Chankalal, et al., 2002 | Based on data from 323. to 473. K. |
| 107.8 | 379. to 396. | A | Stephenson and Malanowski, 1987 | See also Kelley and Rice, 1964. |
| 112.9 | 402. | A,ME | Stephenson and Malanowski, 1987 | Based on data from 396. to 408. K. See also Ratcliffe and Shreeve, 1964 and Dykyj, Svoboda, et al., 1999. |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 135. | 379. to 390. | A | Stephenson and Malanowski, 1987 | See also Kelley and Rice, 1964. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Frisch, Barker, et al., 1963
Frisch, M.A.; Barker, C.; Margrave, J.L.; Newman, M.S.,
Strain energies in hydrocarbons from heats to combustion. I. 4,5-and 2,7-dimethylphenanthrenes, 1,12- and 5,8-benzo(c)phenanthrenes and 1',9- and 3',6-benzanthracenes,
J. Am. Chem. Soc., 1963, 85, 2356-2357. [all data]
Karnes, Kybett, et al., 1965
Karnes, H.A.; Kybett, B.D.; Wilson, M.H.; Margrave, J.L.; Newman, M.S.,
Strain energies in hydrocarbons from heats of combustion. III. 3,4,5,6- and 2,4,5,7-tetramethylphenanthrenes,
J. Am. Chem. Soc., 1965, 87, 5554-5558. [all data]
Frisch, 1962
Frisch, M.A.,
A high precision calorimeter for ther measurement of small energy differences, Ph.D. Thesis for University of Wisconsin, 1962, 1-100. [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
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]
Ratcliffe and Shreeve, 1964
Ratcliffe, Charles T.; Shreeve, Jean'ne M.,
Reactions of Peroxodisulfuryl Difluoride with Organic Halides,
Inorg. Chem., 1964, 3, 5, 631-633, https://doi.org/10.1021/ic50015a005
. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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