Barbituric acid

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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
Δfsolid-151.70 ± 0.68kcal/molCcbSoldatova, Kabo, et al., 1990ALS
Quantity Value Units Method Reference Comment
Δcsolid-361.16 ± 0.68kcal/molCcbSoldatova, Kabo, et al., 1990ALS
Δcsolid-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

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

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
27.0 ± 0.96442.TEBrunetti and Piacente, 1999Based on data from 392. to 493. K.
26.60 ± 0.07294. to 438.GSZielenkiewicz, Perlovich, et al., 1999 
29.47 ± 0.41440.MESoldatova, Kabo, et al., 1990, 3Based on data from 404. to 479. K.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference
4.988526.4Roux, Temprado, et al., 2008

References

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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]

Brunetti and Piacente, 1999
Brunetti, B.; Piacente, V., Sublimation Enthalpies Study for Barbituric, Tiobarbituric, and Selenobarbituric Acids from Their Vapor Pressure Measurements, J. Chem. Eng. Data, 1999, 44, 4, 809-812, https://doi.org/10.1021/je980300k . [all data]

Zielenkiewicz, Perlovich, et al., 1999
Zielenkiewicz, X.; Perlovich, G.L.; Wszelaka-Rylik, M., Journal of Thermal Analysis and Calorimetry, 1999, 57, 1, 225-234, https://doi.org/10.1023/A:1010179814511 . [all data]

Soldatova, Kabo, et al., 1990, 3
Soldatova, T.V.; Kabo, G.Ya.; Kozyro, A.A.; Frenkel, M.L., Thermodynamic properties and tautomerism of barbituric acid, Zh. Fiz. Khim., 1990, 64, 2, 336. [all data]

Roux, Temprado, et al., 2008
Roux, Maria Victoria; Temprado, Manuel; Notario, Rafael; Foces-Foces, Concepcion; Emel'yanenko, Vladimir N.; Verevkin, Sergey P., Structure-Energy Relationship in Barbituric Acid: A Calorimetric, Computational, and Crystallographic Study, J. Phys. Chem. A, 2008, 112, 32, 7455-7465, https://doi.org/10.1021/jp803370u . [all data]


Notes

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