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, Gas phase ion energetics data, 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 | 329.9 ± 3.3 | kJ/mol | Ccb | Ribeiro da Silva and Matos, 1995 | |
| ΔfH°gas | 345. ± 18. | kJ/mol | Ccb | Hussein and Akasheh, 1985 |
Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.4 | PE | Van Den Ham and Van Der Meer, 1972 | LLK |
| 8.68 | PE | Dewar and Worley, 1969 | RDSH |
| 9.22 ± 0.01 | PI | Yencha and El-Sayed, 1968 | RDSH |
| 8.70 | PE | Van Den Ham and Van Der Meer, 1972 | Vertical value; LLK |
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 |
|---|---|---|---|---|
| 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, Gas phase ion energetics data, 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]
Van Den Ham and Van Der Meer, 1972
Van Den Ham, D.M.W.; Van Der Meer, D.,
The photoelectron spectra of the diazanaphthalenes,
Chem. Phys. Lett., 1972, 12, 447. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. II.The ionization potentials of azabenzenes and azanaphthalenes,
J. Chem. Phys., 1969, 51, 263. [all data]
Yencha and El-Sayed, 1968
Yencha, A.J.; El-Sayed, M.A.,
Lowest ionization potentials of some nitrogen heterocyclics,
J. Chem. Phys., 1968, 48, 3469. [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, Gas phase ion energetics 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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