ozone

• ChemBase ID: 128785
• Molecular Formular: H2O3
• Molecular Mass: 50.01408
• Monoisotopic Mass: 50.00039392
• SMILES: OOO
• Canonical SMILES: OOO
• InChI: InChI=1S/H2O3/c1-3-2/h1-2H
• InChIKey: JSPLKZUTYZBBKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ozone
• IUPAC Traditional name: ozone
• Synonyms: Ozone

Database IDs

• CAS Number: 10028-15-6
• EC Number: 233–069–2
• PubChem SID: 162223089
• PubChem CID: 24823; 166717
• CHEBI ID: 25812
• Chemspider ID: 23208
• Gmelin ID: 1101
• MeSH Name: Ozone
• Unique Ingredient Identifier: 66H7ZZK23N
• Wikipedia Title: Ozone

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2712
• LogD (pH = 7.4): 0.2712
• Log P: 0.2712
• Molar Refractivity: 27.58 cm^3
• Polarizability: 2.0779934 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.05 g L^-1 (at 0 °C) in water; very soluble in CCl₄, sulfuric acid
• Apperance: Pale blue gas
• Melting Point: -192.15°C (81K)
• Boiling Point: -112.15°C (161K)
• Density: 2.144 mg cm^-3 (at 0 °C)
• Refractive Index: 1.2226 (liquid)
• Std enthalpy of formation: 142.67 kJ mol^-1
• Std molar entropy: 238.92 J K^-1 mol^-1

Safety Information

• RTECS: RS8225000
• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• NFPA704:
  

  0

  4

  4

  Ox