Uracil

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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-72.43 ± 0.54kcal/molCcrNabavian, Sabbah, et al., 1977 

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-101.4 ± 0.60kcal/molCcbWilson, Watson, et al., 1979ALS
Δfsolid-102.67 ± 0.14kcal/molCcrNabavian, Sabbah, et al., 1977ALS
Quantity Value Units Method Reference Comment
Δcsolid-411.40 ± 0.53kcal/molCcbWilson, Watson, et al., 1979ALS
Δcsolid-410.167 ± 0.067kcal/molCcrNabavian, Sabbah, et al., 1977ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
28.80298.Kilday, 1978DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δsub31. ± 1.kcal/molTE,GSBardi, Bencivenni, et al., 1980Based on data from 452. to 587. K.; AC
Δsub30.23 ± 0.53kcal/molVNabavian, Sabbah, et al., 1977ALS
Δsub20.kcal/molVClark, Peschel, et al., 1965ALS

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
29.95 ± 0.05425.QR,MEde Barros, Medina, et al., 2006Based on data from 315. to 435. K.; AC
24.21399. to 411.MESzterner, Kaminski, et al., 2002AC
30.35 ± 0.48439.TEBrunetti, Piacente, et al., 2000Based on data from 394. to 494. K.; AC
31.21 ± 0.96519.ME,TEBardi, Bencivenni, et al., 1980Based on data from 452. to 587. K.; AC
28.80 ± 0.31403.QRTeplitsky, Yanson, et al., 1980Based on data from 378. to 428. K.; AC
29.09425.MSYanson, Teplitsky, et al., 1979AC
32. ± 2.523.HSANowak, Szczepaniak, et al., 1978Based on data from 500. to 545. K.; AC
30.23 ± 0.53440.CNabavian, Sabbah, et al., 1977, 2AC
28.8 ± 1.2426.LEYanson and Teplitskii, 1975Based on data from 393. to 458. K. See also Yanson, Verkin, et al., 1974.; AC

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+) + Uracil = (Sodium ion (1+) • Uracil)

By formula: Na+ + C4H4N2O2 = (Na+ • C4H4N2O2)

Quantity Value Units Method Reference Comment
Δr32.2 ± 0.8kcal/molCIDTRodgers and Armentrout, 2000 
Δr33.7kcal/molCIDCCerda and Wesdemiotis, 1996 

Potassium ion (1+) + Uracil = (Potassium ion (1+) • Uracil)

By formula: K+ + C4H4N2O2 = (K+ • C4H4N2O2)

Quantity Value Units Method Reference Comment
Δr24.1kcal/molCIDCCerda and Wesdemiotis, 1996 

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes

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

Nabavian, Sabbah, et al., 1977
Nabavian, P.M.; Sabbah, R.; Chastel, R.; Laffitte, M., Thermodynamique de composes azotes. II. Etude thermochimique des acides aminobenzoiques, de la pyrimidine, de l'uracile et de la thymine., J. Chim. Phys., 1977, 74, 115-126. [all data]

Wilson, Watson, et al., 1979
Wilson, S.R.; Watson, I.D.; Malcolm, G.N., Enthalpies of formation of solid cytosine, L-histidine, and uracil, J. Chem. Thermodyn., 1979, 11, 911-912. [all data]

Kilday, 1978
Kilday, M.V., Enthalpies of solution of the nucleic acid bases. 4. Uracil in water, J. Res., 1978, NBS 83, 547-554. [all data]

Bardi, Bencivenni, et al., 1980
Bardi, G.; Bencivenni, L.; Ferro, D.; Martini, B.; Nunziante Cesaro, S.; Teghil, R., Thermodynamic study of the vaporization of uracil, Thermochimica Acta, 1980, 40, 2, 275-282, https://doi.org/10.1016/0040-6031(80)87229-7 . [all data]

Clark, Peschel, et al., 1965
Clark, L.B.; Peschel, G.G.; Tinoco, I., Jr., Vapor spectra and heats of vaporization of some purine and pyrmidine bases, J. Phys. Chem., 1965, 69, 3615. [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]

Szterner, Kaminski, et al., 2002
Szterner, Piotr; Kaminski, Miron; Zielenkiewicz, Anna, Vapour pressures, molar enthalpies of sublimation and molar enthalpies of solution in water of five halogenated derivatives of uracil, The Journal of Chemical Thermodynamics, 2002, 34, 7, 1005-1012, https://doi.org/10.1006/jcht.2000.0987 . [all data]

Brunetti, Piacente, et al., 2000
Brunetti, Bruno; Piacente, Vincenzo; Portalone, Gustavo, Sublimation Enthalpies of Some Methyl Derivatives of Uracil from Vapor Pressure Measurements, J. Chem. Eng. Data, 2000, 45, 2, 242-246, https://doi.org/10.1021/je9902802 . [all data]

Teplitsky, Yanson, et al., 1980
Teplitsky, A.B.; Yanson, I.K.; Glukhova, O.T.; Zielenkiwicz, A.; Zielenkiewicz, W.; Wierzchowski, K.L., Thermochemistry of aqueous solutions of alkylated nucleic acid bases, Biophysical Chemistry, 1980, 11, 1, 17-21, https://doi.org/10.1016/0301-4622(80)85003-4 . [all data]

Yanson, Teplitsky, et al., 1979
Yanson, I.K.; Teplitsky, A.B.; Sukhodub, L.F., Experimental studies of molecular interactions between nitrogen bases of nucleic acids, Biopolymers, 1979, 18, 5, 1149-1170, https://doi.org/10.1002/bip.1979.360180510 . [all data]

Nowak, Szczepaniak, et al., 1978
Nowak, M.J.; Szczepaniak, K.; Barski, A.; Shugar, D.Z., Z. Naturforsch. C, 1978, 33C, 876. [all data]

Nabavian, Sabbah, et al., 1977, 2
Nabavian, M.; Sabbah, R.; Chastel, R.; Laffitte, M., J. Chim. Phys.Phys.-Chim. Biol., 1977, 74, 115. [all data]

Yanson and Teplitskii, 1975
Yanson, I.K.; Teplitskii, A.B., Zh. Fiz. Khim., 1975, 49, 736. [all data]

Yanson, Verkin, et al., 1974
Yanson, I.K.; Verkin, B.I.; Shklyarevskii, O.I.; Teplitskii, A.B., Stud. Biophys., 1974, 46, 1, 29. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Interactions of Nucleic Acid Bases (Uracil, Thymine, and Adenine) with Alkali Metal Ions. Threshold Collision-Induced Dissociation and Theoretical Studies, J. Am. Chem. Soc., 2000, 121, 35, 8548, https://doi.org/10.1021/ja001638d . [all data]

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


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References