Adenine

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, References, Notes

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
Δfsolid23.2 ± 0.31kcal/molCcrKirklin and Domalski, 1983ALS
Δfsolid22.95 ± 0.22kcal/molCcbStiehler and Huffman, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = 21.76 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-664.20 ± 0.30kcal/molCcrKirklin and Domalski, 1983ALS
Δcsolid-663.99 ± 0.21kcal/molCcbStiehler and Huffman, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -663.74 ± 0.21 kcal/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar36.092cal/mol*KN/AStiehler and Huffman, 1935, 2Extrapolation below 90 K, 46.69 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
35.13298.Kilday, 1978DH
34.209298.1Stiehler and Huffman, 1935, 2T = 88 to 298 K. Value is unsmoothed experimental datum.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

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

Kirklin and Domalski, 1983
Kirklin, D.R.; Domalski, E.S., Enthalpy of combustion of adenine, J. Chem. Thermodyn., 1983, 15, 941-947. [all data]

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, 1978
Kilday, M.V., Enthalpies of solution of the nucleic acid bases. 1. Adenine in water, J. Res., 1978, NBS 83, 347-369. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, References