1H-Pyrazole

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Condensed phase thermochemistry 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:
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
Δfsolid  CcbZaheeruddin and Lodhi, 1991uncertain value: 26.859 kcal/mol; ALS
Δfsolid25.2 ± 0.2kcal/molCcbJimenez, Roux, et al., 1987see Jimenez, Roux, et al., 1986; ALS
Δfsolid27.7 ± 1.1kcal/molCcbBedford, Edmondson, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = 28.3 ± 1.1 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid  CcbZaheeruddin and Lodhi, 1991uncertain value: -445.650 kcal/mol; ALS
Δcsolid-444.0 ± 0.1kcal/molCcbJimenez, Roux, et al., 1987see Jimenez, Roux, et al., 1986; ALS
Δcsolid-446.5 ± 1.1kcal/molCcbBedford, Edmondson, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -447.1 ± 1.1 kcal/mol; ALS
Δcsolid-444.2kcal/molCcbZimmerman and Geisenfelder, 1961ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
19.4298.15Jimenez, Roux, et al., 1987Cp given as 1.19 J/g*K.; DH
21.0300.DeWit, Offringa, et al., 1983T = 300 to 450 K.; DH

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Zaheeruddin and Lodhi, 1991
Zaheeruddin, M.; Lodhi, Z.H., Enthalpies of formation of some cyclic compounds, Phys. Chem. (Peshawar Pak.), 1991, 10, 111-118. [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]

Bedford, Edmondson, et al., 1962
Bedford, A.F.; Edmondson, P.B.; Mortimer, C.T., Heats of formation and bond energies. Part VI. n-Butyliso-butyraldimine, n-butylisobutylamine, pyrazole, and imidazole, J. Chem. Soc., 1962, 2927-2931. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Zimmerman and Geisenfelder, 1961
Zimmerman, H.; Geisenfelder, H., Uber die Mesomerieenergie von Azolen, Z. Electrochem., 1961, 65, 368-371. [all data]

DeWit, Offringa, et al., 1983
DeWit, H.G.M.; Offringa, J.C.A.; De Kruif, C.G.; Van Miltenburg, J.C., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen and sulfur. III. Molar heat capacities measured by differential scanning calorimetry, Thermochim. Acta, 1983, 65, 43-51. [all data]


Notes

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