Chemical Properties of 5,5-DIHYDROXY-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE

InChI

InChI=1S/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)

InChI Key

ZIIHZVKHFWOENY-UHFFFAOYSA-N

Formula

C4H4N2O5

SMILES

O=C1NC(=O)C(O)(O)C(=O)N1

Molecular Weight¹

160.09

Other Names

• Barbituric acid, 5,5-dihydroxy-
• Mesoxalylcarbamide monohydrate
• Mesoxalylurea monohydrate
• 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate
• 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
• 5,5-dihydroxyperhydropyrimidinetrione
• Alloxan

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.62; 315.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.73700e+01
Coefficient B			3.34100e-01
Coefficient C			-1.50000e-05
Coefficient D			-4.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.62	J/mol×K	273.00	Calculated Property
Cp,gas	151.87	J/mol×K	353.78	Calculated Property
Cp,gas	176.34	J/mol×K	434.56	Calculated Property
Cp,gas	199.92	J/mol×K	515.33	Calculated Property
Cp,gas	222.47	J/mol×K	596.11	Calculated Property
Cp,gas	243.87	J/mol×K	676.89	Calculated Property
Cp,gas	263.98	J/mol×K	757.67	Calculated Property
Cp,gas	282.67	J/mol×K	838.44	Calculated Property
Cp,gas	299.81	J/mol×K	919.22	Calculated Property
Cp,gas	315.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5,5-DIHYDROXY-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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