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 | 33.20 ± 0.67 | kcal/mol | Ccb | Frisch, Barker, et al., 1963 | see Karnes, Kybett, et al., 1965 and Frisch, 1962 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2460.75 ± 0.48 | kcal/mol | Ccb | Frisch, Barker, et al., 1963 | see Karnes, Kybett, et al., 1965 and Frisch, 1962; Corresponding ΔfHºsolid = 33.21 kcal/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Condensed phase thermochemistry 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]
Notes
Go To: Top, Condensed phase thermochemistry 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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