cerium disulfate

• ChemBase ID: 126474
• Molecular Formular: CeO8S2----
• Molecular Mass: 332.2412
• Monoisotopic Mass: 331.80889696
• SMILES: [Ce].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce]
• InChI: InChI=1S/Ce.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/p-4
• InChIKey: OKUXIJABYSDADS-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: cerium disulfate
• IUPAC Traditional name: cerium disulfate
• Synonyms: Ceric sulfate; Cerium(IV) sulfate

Database IDs

• CAS Number: 13590-82-4
• PubChem SID: 162220807
• PubChem CID: 43833479; 159684
• Chemspider ID: 21160156
• Unique Ingredient Identifier: 4F66FI5T7X
• Wikipedia Title: Cerium(IV)_sulfate

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in dilute sulfuric acid; Soluble in small amounts, hydrolyzes in large amounts of water ; 21.4 g/100 mL (0°C) ; 9.84 g/100 mL (20°C) ; 3.87 g/100 mL (60°C) in water
• Apperance: Yellow solid (anhydrous) ; yellow-orange crystals (tetrahydrate)
• Melting Point: 350 °C (decomp.)
• Boiling Point: NA
• Density: 3.91 g/cm^3 (tetrahydrate)

Safety Information

• Main Hazard: Oxidizer