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

InChI

InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)

InChI Key

HIMXGTXNXJYFGB-UHFFFAOYSA-N

Formula

C4H2N2O4

SMILES

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

Molecular Weight¹

142.07

Other Names

• 2,4,5,6(1H,3H)-Pyrimidinetetrone
• Alloxan 7169
• Alloxane
• Barbituric acid, 5-oxo-
• Mesoxalylcarbamide
• Mesoxalylurea
• Urea, mesoxalyl-
• 2,4,5,6-Pyrimidintetrone
• 2,4,5,6-Tetraoxohexahydropyrimidine
• 2,4,5,6-Pyrimidinetetrone
• Pyrimidinetetrone
• NSC 7169

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.39; 261.99]	J/mol×K	[683.52; 977.54]
Cp,gas	209.39	J/mol×K	683.52	Joback Calculated Property
Cp,gas	221.70	J/mol×K	732.52	Joback Calculated Property
Cp,gas	233.01	J/mol×K	781.53	Joback Calculated Property
Cp,gas	243.00	J/mol×K	830.53	Joback Calculated Property
Cp,gas	251.37	J/mol×K	879.53	Joback Calculated Property
Cp,gas	257.81	J/mol×K	928.54	Joback Calculated Property
Cp,gas	261.99	J/mol×K	977.54	Joback Calculated Property
Cp,solid	153.01	J/mol×K	297.20	NIST

Similar Compounds

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

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.