1H-Indazole
- Formula: C7H6N2
- Molecular weight: 118.1359
- IUPAC Standard InChI: InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
- IUPAC Standard InChIKey: BAXOFTOLAUCFNW-UHFFFAOYSA-N
- CAS Registry Number: 271-44-3
- 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: Isoindazole; 1,2-Diazaindene; 1H-Benzopyrazole; 2-Azaindole; Indazole; Benzopyrazole
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Condensed phase thermochemistry data
Go To: Top, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 36.30 ± 0.31 | kcal/mol | Ccb | Jimenez, Roux, et al., 1987 | see Jimenez, Roux, et al., 1986; ALS |
| ΔfH°solid | 39.79 ± 0.88 | kcal/mol | Ccb | Faour and Akasheh, 1985 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -899.6 ± 0.2 | kcal/mol | Ccb | Jimenez, Roux, et al., 1987 | see Jimenez, Roux, et al., 1986; ALS |
| ΔcH°solid | -903.11 ± 0.84 | kcal/mol | Ccb | Faour and Akasheh, 1985 | ALS |
| ΔcH°solid | -899.5 | kcal/mol | Ccb | Zimmerman and Geisenfelder, 1961 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 30.78 | 298.15 | Jimenez, Roux, et al., 1987 | Cp given as 1.09 J K-1 g-1.; DH |
References
Go To: Top, 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.
Jimenez, Roux, et al., 1987
Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of N-heterocyclic compounds. I. Enthalpies of combustion, vapour pressures and enthalpies of sublimation, and enthalpies of formation of pyrazole, imidazole, indazole, and benzimidazole,
J. Chem. Thermodyn., 1987, 19, 985-992. [all data]
Jimenez, Roux, et al., 1986
Jimenez, P.; Roux, M.V.; Turrion, C.; Gomis, F.,
Thermochemical properties of some N-heterocyclic compounds,
J. Calorim. Anal. Therm. Thermodyn. Chim., 1986, 17, 469-470. [all data]
Faour and Akasheh, 1985
Faour, M.; Akasheh, T.S.,
Heat of combustion of some N-heterocycle compounds. Part 1,
J. Chem. Soc. Perkin Trans. 2, 1985, 811-713. [all data]
Zimmerman and Geisenfelder, 1961
Zimmerman, H.; Geisenfelder, H.,
Uber die Mesomerieenergie von Azolen,
Z. Electrochem., 1961, 65, 368-371. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid 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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