Benzo[c]cinnoline
- Formula: C12H8N2
- Molecular weight: 180.2053
- IUPAC Standard InChI: InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
- IUPAC Standard InChIKey: SWJXWSAKHXBQSY-UHFFFAOYSA-N
- CAS Registry Number: 230-17-1
- 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: 9,10-Diazaphenanthrene; Diphenylenazone; Phenazone; Phenazone (three-ring system); 2,2'-Azobiphenyl; 3,4-Benzocinnoline; 5,6-Phenanthroline; o-Diphenyleneazine; 5,6-Diazaphenanthrene; NSC 86935
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Gas 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 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 | 89.9 ± 1.2 | kcal/mol | Ccb | Hussein and Akasheh, 1985 | ALS |
| ΔfH°gas | 93.62 | kcal/mol | N/A | Schulze, Petrick, et al., 1977 | Value computed using ΔfHsolid° value of 295.1 kj/mol from Schulze, Petrick, et al., 1977 and ΔsubH° value of 96.6 kj/mol from Hussein and Akasheh, 1985.; DRB |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1933. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 322.07 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hussein and Akasheh, 1985
Hussein, A.; Akasheh, T.S.,
Heat of combustion of heterocyclic compounds. Part II.,
Dirasat - Univ. Jordan, 1985, 12, 65-72. [all data]
Schulze, Petrick, et al., 1977
Schulze, F.W.; Petrick, H.J.; Cammenga, H.K.,
Thermodynamic properties of structural analogues benzo[c]cinnoline, trans-azobenzene, and cis-azobenzene,
Z. Phys. Chem. (Neue Folge), 1977, 107, 1-19. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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