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Barbituric acid

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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
Deltafgas-121.8kcal/molCcbSoldatova, Kabo, et al., 1990 

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-151.70 ± 0.68kcal/molCcbSoldatova, Kabo, et al., 1990ALS
Quantity Value Units Method Reference Comment
Deltacsolid-361.16 ± 0.68kcal/molCcbSoldatova, Kabo, et al., 1990ALS
Deltacsolid-358.89kcal/molCcbLemoult, 1904ALS
Quantity Value Units Method Reference Comment
solid,1 bar37.60cal/mol*KN/ASoldatova, Kabo, et al., 1990, 2DH
solid,1 bar37.67cal/mol*KN/AKoshchenko, Ismailov, et al., 1985Extrapolated below 90 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
33.72298.15Soldatova, Kabo, et al., 1990, 2T = 10 to 450 K. Cp(c) = 25.67 + 0.3361T + 3.382x10-4T2 - 5.64x10-7T3 J/mol*K (200 to 450 K).; DH
33.72298.15Koshchenko, Ismailov, et al., 1985T = 90 to 300 K.; DH

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: John E. Bartmess

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

C4H3N2O3- + Hydrogen cation = Barbituric acid

By formula: C4H3N2O3- + H+ = C4H4N2O3

Quantity Value Units Method Reference Comment
Deltar335.1 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase; Acid: barbituric acid
Quantity Value Units Method Reference Comment
Deltar327.3 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; Acid: barbituric acid

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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.

Soldatova, Kabo, et al., 1990
Soldatova, T.V.; Kabo, G.Ya.; Kozyro, A.A.; Frenkel, M.L., Thermodynamic properties and tautomerism of barbituric acid, Russ. J. Phys. Chem. (Engl. Transl.), 1990, 64, 177-180. [all data]

Lemoult, 1904
Lemoult, M.P., Remarques sur une serie recenie de determinations calorimetriques, Compt. Rend., 1904, 663-635. [all data]

Soldatova, Kabo, et al., 1990, 2
Soldatova, T.V.; Kabo, G.Ya.; Kozyro, A.A.; Frenkel, M.L., Thermodynamic properties and tautomerism of barbituric acid, Zhur. Fiz. Khim., 1990, 64(2), 336-343. [all data]

Koshchenko, Ismailov, et al., 1985
Koshchenko, V.I.; Ismailov, T.S.; Potekhin, V.M.; Razikov, K.Kh., Thermodynamic functions of barbituric acid, Zhur. Prikl. Khim. (Leningrad), 1985, 58, 445-456. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]


Notes

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