1H-Imidazole, 1-methyl-

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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)229.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity221.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.66PERamsey, 1979Vertical value; LLK

Ion clustering 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 by: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Potassium ion (1+) + 1H-Imidazole, 1-methyl- = (Potassium ion (1+) • 1H-Imidazole, 1-methyl-)

By formula: K+ + C4H6N2 = (K+ • C4H6N2)

Quantity Value Units Method Reference Comment
Δr28.0 ± 0.6kcal/molCIDTHuang and Rodgers, 2002 

Lithium ion (1+) + 1H-Imidazole, 1-methyl- = (Lithium ion (1+) • 1H-Imidazole, 1-methyl-)

By formula: Li+ + C4H6N2 = (Li+ • C4H6N2)

Quantity Value Units Method Reference Comment
Δr57.9 ± 5.0kcal/molCIDTHuang and Rodgers, 2002 

Sodium ion (1+) + 1H-Imidazole, 1-methyl- = (Sodium ion (1+) • 1H-Imidazole, 1-methyl-)

By formula: Na+ + C4H6N2 = (Na+ • C4H6N2)

Quantity Value Units Method Reference Comment
Δr38.4 ± 1.2kcal/molCIDTHuang and Rodgers, 2002 

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 Japan AIST/NIMC Database- Spectrum MS-NW-4944
NIST MS number 230021

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Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101110.929.Golovnya, Kuz'menko, et al., 2000He; Phase thickness: 0.4 μm
CapillaryOV-101110.929.Zhuravleva, 200050. m/0.3 mm/0.4 μm, He
CapillaryOV-101110.929.Golovnya, Zhuravleva, et al., 199230. m/0.30 mm/0.20 μm

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-40M/KF170.1681.Golovnya, Zhuravleva, et al., 199230. m/0.3 mm/0.2 μm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1638.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax1700.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

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]

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

Huang and Rodgers, 2002
Huang, H.; Rodgers, M.T., Sigma versus Pi interactions in alkali metal ion binding to azoles: Threshold collision-induced dissociation and ab initio theory studies, J. Phys. Chem. A, 2002, 106, 16, 4277, https://doi.org/10.1021/jp013630b . [all data]

Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.E.; Krikunova, N.I., The influence of alkyl substituents on the chromatographic indicator of self-association of N-containing heterocyclic compounds, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 321-324, https://doi.org/10.1007/BF02494681 . [all data]

Zhuravleva, 2000
Zhuravleva, I.L., Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682 . [all data]

Golovnya, Zhuravleva, et al., 1992
Golovnya, R.V.; Zhuravleva, I.L.; Sal'kova, M.A., Prediction of Retention Indexes of Alkylimadazoles Under Conditions of Capillary Gas Chromatography, J. Anal. Chem. USSR (Engl. Transl.), 1992, 7, 932-937. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References