Chemical Properties of Alloxan (CAS 50-71-5)

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

CAS

50-71-5

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 Alloxan.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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