ethyl nitrate

• ChemBase ID: 127330
• Molecular Formular: C2H5NO3
• Molecular Mass: 91.066
• Monoisotopic Mass: 91.02694303
• SMILES: CCO[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)OCC
• InChI: InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3
• InChIKey: IDNUEBSJWINEMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl nitrate
• IUPAC Traditional name: ethyl nitrate
• Synonyms: Nitric acid ethyl ester; Ethyl nitrate

Database IDs

• CAS Number: 625-58-1
• PubChem SID: 162221651
• PubChem CID: 12259
• Chemspider ID: 11756
• Wikipedia Title: Ethyl_nitrate

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.76318246
• LogD (pH = 7.4): 0.76318246
• Log P: 0.76318246
• Molar Refractivity: 19.7039 cm^3
• Polarizability: 7.2199054 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -102 °C
• Boiling Point: 87 °C