sodiumol

• ChemBase ID: 129529
• Molecular Formular: HNaO
• Molecular Mass: 39.99711
• Monoisotopic Mass: 39.99250893
• SMILES: O[Na]
• Canonical SMILES: O[Na]
• InChI: InChI=1S/Na.H2O/h;1H2/q+1;/p-1
• InChIKey: HEMHJVSKTPXQMS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodiumol
• IUPAC Systematic name: Sodium oxidanide
• IUPAC Traditional name: caustic soda
• Synonyms: Caustic soda; Lye; Ascarite; White caustic; Sodium hydrate; Sodium hydroxide

Database IDs

• CAS Number: 1310-73-2
• EC Number: 215-185-5
• PubChem SID: 162223821
• PubChem CID: 14798
• CHEBI ID: 32145
• Chemspider ID: 14114
• Gmelin ID: 68430
• KEGG ID: D01169
• MeSH Name: Sodium+Hydroxide
• Unique Ingredient Identifier: 55X04QC32I
• Wikipedia Title: Sodium_hydroxide

CALCULATED PROPERTIES

• Acid pKa: 15.847058
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3362
• LogD (pH = 7.4): -0.3362
• Log P: -0.3362
• Molar Refractivity: 2.5646 cm^3
• Polarizability: 3.0721824 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: <<13.9 g/100 mL in ethanol; 111 g/100 mL (at 20 °C) in water; 23.8 g/100 mL in methanol
• Apperance: White, waxy, opaque crystals
• Melting Point: 318°C
• Boiling Point: 1388°C
• Density: 2.13 g/cm^3
• Refractive Index: 1.3576
• Vapor Pressure: <2.4 kPa (at 20 °C)
• pKa: 13
• Odor: odorless
• Std enthalpy of formation: -427 kJ·mol^-1
• Std molar entropy: 64 J·mol^-1·K^-1

Safety Information

• RTECS: WB4900000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1823
• Risk Statements: R35
• Safety Statements: S1/2, S26, S37/39, S45
• EU Index: 011-002-00-6
• GHS Pictograms: GHS corrosion
• NFPA704:
  

  0

  3

  1

  ALK