nitro nitrate

• ChemBase ID: 127104
• Molecular Formular: N2O5
• Molecular Mass: 108.0104
• Monoisotopic Mass: 107.98072111
• SMILES: [O-][N+](=O)O[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)O[N+](=O)[O-]
• InChI: InChI=1S/N2O5/c3-1(4)7-2(5)6
• InChIKey: ZWWCURLKEXEFQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nitro nitrate
• IUPAC Traditional name: dinitrogen pentoxide
• Synonyms: Nitric anhydride; Nitronium nitrate; DNPO; Dinitrogen pentoxide

Database IDs

• CAS Number: 10102-03-1
• PubChem SID: 162221427
• PubChem CID: 66242
• CHEBI ID: 29802
• Chemspider ID: 59627
• Wikipedia Title: Dinitrogen_pentoxide

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6551329
• LogD (pH = 7.4): 0.6551329
• Log P: 0.6551329
• Molar Refractivity: 17.167 cm^3
• Polarizability: 6.013341 Å^3
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: reacts to give HNO₃ in water; soluble in chloroform
• Apperance: white solid
• Melting Point: 41 °C
• Boiling Point: 47 °C (sublimates)
• Flash Point: Non-flammable
• Density: 1.642 g/cm^3 (18 °C)
• Std enthalpy of formation: -43.1 kJ/mol (s); +11.3 kJ/mol (g)
• Std molar entropy: 178.2 J K^-1 mol^-1 (s); 355.6 J K^-1 mol^-1 (g)

Safety Information

• EU Index: Not listed
• Main Hazard: strong oxidizer, forms strong acid in contact with water
• NFPA704:
  

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