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1H-Benzimidazole

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
Deltafgas181.7 ± 1.4kJ/molCcbJimenez, Roux, et al., 1987see Jimenez, Roux, et al., 1986

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
Deltafsolid79.5 ± 1.3kJ/molCcbJimenez, Roux, et al., 1987see Jimenez, Roux, et al., 1986; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3691.6 ± 1.0kJ/molCcbJimenez, Roux, et al., 1987see Jimenez, Roux, et al., 1986; ALS
Deltacsolid-3697.kJ/molCcbZimmerman and Geisenfelder, 1961ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
128.8298.15Jimenez, Roux, et al., 1987Cp given as 1.09 J K-1 g-1.; DH

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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltasub101. ± 7.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
90.2 ± 0.6363.CLehman, Gentry, et al., 1998AC
101.8 ± 0.4350.MEJimenez, Roux, et al., 1987Based on data from 340. - 359. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
20.47445.5Domanska, Kozlowska, et al., 2002AC
19.25443.2Pitzer, Peiper, et al., 1984AC

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)953.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity920.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.0PEKovac, Klasinc, et al., 1980LLK
8.0PERamsey, 1979LLK
8.45PEKovac, Klasinc, et al., 1980Vertical value; LLK
8.44PERamsey, 1979Vertical value; LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118955

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Steck, Nachod, et al., 1948
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 213
Instrument Beckman DU
Melting point 170.5
Boiling point > 360

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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]

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

Lehman, Gentry, et al., 1998
Lehman, Richard L.; Gentry, Jefffery S.; Glumac, Nick G., Thermal stability of potassium carbonate near its melting point, Thermochimica Acta, 1998, 316, 1, 1-9, https://doi.org/10.1016/S0040-6031(98)00289-5 . [all data]

Domanska, Kozlowska, et al., 2002
Domanska, Urszula; Kozlowska, Marta Karolina; Rogalski, Marek, Solubilities, Partition Coefficients, Density, and Surface Tension for Imidazoles + Octan-1-ol or + Water or + n -Decane «8224», J. Chem. Eng. Data, 2002, 47, 3, 456-466, https://doi.org/10.1021/je0103014 . [all data]

Pitzer, Peiper, et al., 1984
Pitzer, Kenneth S.; Peiper, J. Christopher; Busey, R.H., Thermodynamic Properties of Aqueous Sodium Chloride Solutions, J. Phys. Chem. Ref. Data, 1984, 13, 1, 1, https://doi.org/10.1063/1.555709 . [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]

Ramsey, 1979
Ramsey, B.G., Substituent effects on imidazole basicity and photoelectron spectroscopy determined ionization energies, J. Org. Chem., 1979, 44, 2093. [all data]

Steck, Nachod, et al., 1948
Steck, E.A.; Nachod, F.C.; Ewing, G.W.; Gorman, N.H., Absorption spectra of heterocyclic compounds. III. Some benzimidazole derivatives, J. Am. Chem. Soc., 1948, 70, 3406-3410. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References