aluminium(3+) ion sodium disulfate

• ChemBase ID: 129505
• Molecular Formular: AlH3NaO8S2
• Molecular Mass: 245.120328
• Monoisotopic Mass: 244.89824197
• SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[AlH3+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[AlH3+3]
• InChI: InChI=1S/Al.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
• InChIKey: GJPYYNMJTJNYTO-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion sodium disulfate
• IUPAC Traditional name: aluminium(3+) ion sodium disulfate
• Synonyms: Sodium alum; Soda alum; E521; Sodium aluminium sulfate

Database IDs

• CAS Number: 10102-71-3
• EC Number: 233-277-3
• PubChem SID: 162223797
• PubChem CID: 24939
• Chemspider ID: 22972
• Wikipedia Title: Sodium_aluminium_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: 208 g/100 ml (15 °C) in water
• Apperance: white crystalline powder
• Melting Point: 61 °C
• Flash Point: non-flammable
• Density: 1.6754 (20 °C)
• Refractive Index: 1.4388

Safety Information

• EU Index: not listed