3,9-Dimethylbenz[a]anthracene
- Formula: C20H16
- Molecular weight: 256.3410
- IUPAC Standard InChI: InChI=1S/C20H16/c1-13-3-5-15-12-20-17(11-18(15)10-13)7-6-16-9-14(2)4-8-19(16)20/h3-12H,1-2H3
- IUPAC Standard InChIKey: DBPDWIZRMPUWRH-UHFFFAOYSA-N
- CAS Registry Number: 316-51-8
- 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(a)anthracene, 3,9-dimethyl-
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Gas phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 189. ± 3. | kJ/mol | Ccb | Karnes, Kybett, et al., 1965 | Author was aware that data differs from previously reported values; ALS |
| ΔfH°gas | 189.1 | kJ/mol | N/A | Frisch, Barker, et al., 1963 | Value computed using ΔfHsolid° value of 76.1±2.8 kj/mol from Frisch, Barker, et al., 1963 and ΔsubH° value of 113.0 kj/mol from Karnes, Kybett, et al., 1965.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 76. ± 3. | kJ/mol | Ccb | Karnes, Kybett, et al., 1965 | Author was aware that data differs from previously reported values |
| ΔfH°solid | 76.1 ± 2.8 | kJ/mol | Ccb | Frisch, Barker, et al., 1963 | Author was aware that data differs from previously reported values; see Karnes, Kybett, et al., 1965 and Frisch, 1962 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -10233.0 ± 2.0 | kJ/mol | Ccb | Frisch, Barker, et al., 1963 | Author was aware that data differs from previously reported values; see Karnes, Kybett, et al., 1965 and Frisch, 1962; Corresponding ΔfHºsolid = 76.19 kJ/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Gas phase thermochemistry data, 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.
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, 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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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