1H-Indazole

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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus419.3KN/ARondestvedt and Blanchard, 1955Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Δsub91.1 ± 0.2kJ/molVJimenez, Roux, et al., 1987see Jimenez, Roux, et al., 1986; ALS
Δsub91.1kJ/molN/AJimenez, Roux, et al., 1987DRB
Δsub91.1 ± 0.2kJ/molN/AJimenez, Roux, et al., 1987See also Jimenez, Roux, et al., 1986, 2.; AC
Δsub87.7kJ/molN/AFaour and Akasheh, 1985DRB
Δsub97.1kJ/molVZimmerman and Geisenfelder, 1961ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
543.20.991Aldrich Chemical Company Inc., 1990BS

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
90.9 ± 0.2318.MEJimenez, Roux, et al., 1987Based on data from 308. to 317. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)900.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity868.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.35PEKovac, Klasinc, et al., 1980LLK
8.35PEKovac, Klasinc, et al., 1980Vertical value; LLK

De-protonation reactions

C7H5N2- + Hydrogen cation = 1H-Indazole

By formula: C7H5N2- + H+ = C7H6N2

Quantity Value Units Method Reference Comment
Δr1457. ± 8.8kJ/molG+TSCatalan, Claramunt, et al., 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1425. ± 8.4kJ/molIMRECatalan, Claramunt, et al., 1988gas phase; B

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.

Rondestvedt and Blanchard, 1955
Rondestvedt, C.S.; Blanchard, H.S., Arylation of Unsaturated Systems by Free Radicals I. Arylation of Alkylbenzenes, J. Am. Chem. Soc., 1955, 77, 1769. [all data]

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]

Jimenez, Roux, et al., 1986, 2
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. [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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Kovac, Klasinc, et al., 1980
Kovac, B.; Klasinc, L.; Stanovnik, B.; Tisler, M., Photoelectron spectroscopy of J. Heterocycl. Chem.. Azaindenes azaindolizines (1), J. Heterocycl. Chem., 1980, 17, 689. [all data]

Catalan, Claramunt, et al., 1988
Catalan, J.; Claramunt, R.M.; Elguero, J.; Menedez, M.; Anvia, F.; Quian, J.H.; Taagepera, M.; Taft, R.W., Basicity and Acidity of Azoles. The Annelation Effect in Azoles., J. Am. Chem. Soc., 1988, 110, 13, 4107, https://doi.org/10.1021/ja00221a001 . [all data]


Notes

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