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Guanine

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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
Deltafsolid-183.9 ± 0.84kJ/molCcbStiehler and Huffman, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -188.7 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2498.2 ± 0.79kJ/molCcbStiehler and Huffman, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -2497.4 kJ/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar160.2J/mol*KN/AStiehler and Huffman, 1935, 2Extrapolation below 90 K, 45.06 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
160.7298.Kilday, 1981DH
156.94296.7Stiehler and Huffman, 1935, 2T = 84 to 297 K. Value is unsmoothed experimental datum.; 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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
168.3 ± 0.6365.QR,MEde Barros, Medina, et al., 2006Based on data from 325. - 405. K.

Reaction 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 by: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Sodium ion (1+) + Guanine = (Sodium ion (1+) bullet Guanine)

By formula: Na+ + C5H5N5O = (Na+ bullet C5H5N5O)

Quantity Value Units Method Reference Comment
Deltar182.kJ/molCIDCCerda and Wesdemiotis, 1996 

Potassium ion (1+) + Guanine = (Potassium ion (1+) bullet Guanine)

By formula: K+ + C5H5N5O = (K+ bullet C5H5N5O)

Quantity Value Units Method Reference Comment
Deltar117.kJ/molCIDCCerda and Wesdemiotis, 1996 

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)959.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity927.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.85PEDougherty, Younathan, et al., 1978LLK
8.0 ± 0.2EIVerkin, Sukodub, et al., 1976LLK
8.24 ± 0.03PEHush and Cheung, 1975Vertical 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+) + Guanine = (Potassium ion (1+) bullet Guanine)

By formula: K+ + C5H5N5O = (K+ bullet C5H5N5O)

Quantity Value Units Method Reference Comment
Deltar117.kJ/molCIDCCerda and Wesdemiotis, 1996 

Sodium ion (1+) + Guanine = (Sodium ion (1+) bullet Guanine)

By formula: Na+ + C5H5N5O = (Na+ bullet C5H5N5O)

Quantity Value Units Method Reference Comment
Deltar182.kJ/molCIDCCerda and Wesdemiotis, 1996 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


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-8150
NIST MS number 228112

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

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, 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 Johnson, 1971
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. 19875
Instrument Unicam SP 500
Melting point 365 dec.

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Stiehler and Huffman, 1935
Stiehler, R.D.; Huffman, H.M., Thermal data. IV. The heats of combustion of adenine, hypoxanthine, guanine, xanthine, uric acid, allantoin and alloxan, J. Am. Chem. Soc., 1935, 57, 1734-1740. [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]

Stiehler and Huffman, 1935, 2
Stiehler, R.D.; Huffman, H.M., Thermal data. V. The heat capacities, entropies and free energies of adenine, hypoxanthine, guanine, xanthine, uric acid, allantoin and alloxan, J. Am. Chem. Soc., 1935, 57, 1741-1743. [all data]

Kilday, 1981
Kilday, M.V., Enthalpies of solution of the nucleic acid bases. 6. Guanine in aqueous HCl and NaOH, and guanine hydrochlorides in aqueous HCl, J. Res., 1981, NBS 86, 367-381. [all data]

de Barros, Medina, et al., 2006
de Barros, A.L.F.; Medina, A.; Zappa, F.; Pereira, J.M.; Bessa, E.; Martins, M.H.P.; Coelho, L.F.S.; Wolff, W.; de Castro Faria, N.V., A simple experimental arrangement for measuring the vapour pressures and sublimation enthalpies by the Knudsen effusion method: Application to DNA and RNA bases, Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 2006, 560, 2, 219-223, https://doi.org/10.1016/j.nima.2006.01.026 . [all data]

Cerda and Wesdemiotis, 1996
Cerda, B.A.; Wesdemiotis, C., PAs of Peptides, J. Am. Chem. Soc., 1996, 118, 11884. [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]

Dougherty, Younathan, et al., 1978
Dougherty, D.; Younathan, E.S.; Voll, R.; Abdulnur, S.; McGlynn, S.P., Photoelectron spectroscopy of some biological molecules, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 379. [all data]

Verkin, Sukodub, et al., 1976
Verkin, B.I.; Sukodub, L.F.; Yanson, I.K., Ionization potentials of nitrogenous bases of of nucleic acids, Dokl. Akad. Nauk SSSR, 1976, 228, 1452. [all data]

Hush and Cheung, 1975
Hush, N.S.; Cheung, A.S., Ionization potentials and donor properties of nucleic acid bases and related compounds, Chem. Phys. Lett., 1975, 34, 11. [all data]

Johnson, 1971
Johnson, E.A., UV atlas of organic compounds, 1971, 5, J10/2. [all data]


Notes

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