Phthalazine
- Formula: C8H6N2
- Molecular weight: 130.1466
- IUPAC Standard InChI: InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
- IUPAC Standard InChIKey: LFSXCDWNBUNEEM-UHFFFAOYSA-N
- CAS Registry Number: 253-52-1
- 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: Benzo[d]pyridazine; β-Phenodiazine; 2,3-Benzodiazine; 2,3-Diazanaphthalene
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Gas phase thermochemistry data
Go To: Top, UV/Visible spectrum, Gas Chromatography, 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°gas | 78.85 ± 0.79 | kcal/mol | Ccb | Ribeiro da Silva and Matos, 1995 | |
| ΔfH°gas | 82.5 ± 4.3 | kcal/mol | Ccb | Hussein and Akasheh, 1985 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Hirt and Caqvagnol, 1956 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 12641 |
| Instrument | Cary Model 11 |
| Melting point | 90.5 |
| Boiling point | 316 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, 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: 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 |
|---|---|---|---|---|
| Packed | SE-30 | 1437. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
References
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva and Matos, 1995
Ribeiro da Silva, M.A.V.; Matos, M.A.R.,
Thermochemical and theoretical studies of some benzodiazines,
J. Chem. Soc. Faraday Trans., 1995, 91, 1907-1910. [all data]
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]
Hirt and Caqvagnol, 1956
Hirt, R.C.; Caqvagnol, J.C.,
J. Chem. Phys., 1956, 25, 574. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, 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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