Phthalazine
- Formula: C8H6N2
- Molecular weight: 130.1466
- 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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Phase change data
Go To: Top, Gas phase ion energetics 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 364. | K | N/A | Sabbah and Pemenzi, 1993 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 83. ± 2. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
462.2 | 0.039 | Aldrich Chemical Company Inc., 1990 | BS |
448.2 | 0.023 | Weast and Grasselli, 1989 | BS |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.32 | 364.5 | Sabbah and Pemenzi, 1993 | AC |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
364.41 | crystaline | liquid | Sabbah and Pemenzi, 1993, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change 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:
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 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah and Pemenzi, 1993
Sabbah, R.; Pemenzi, O.,
Energetics of intermolecular bonds in the three diazines: phthalazine, quinazoline and quinoxaline,
C. R. Acad. Sci. Paris, Ser. II, 1993, 317, 5, 575. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Sabbah and Pemenzi, 1993, 2
Sabbah, R.; Pemenzi, O.,
Energetique des liaisons intermoleculaires dans les molecules de phthalazine, quinazoline, and quinoxaline, Compt. Rend. Acad. Sci. Paris,
Series II, 1993, 317, 575-581. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttrs Temperature of phase transition ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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