acetyl iodide

• ChemBase ID: 125605
• Molecular Formular: C2H3IO
• Molecular Mass: 169.94909
• Monoisotopic Mass: 169.92286272
• SMILES: CC(=O)I
• Canonical SMILES: CC(=O)I
• InChI: InChI=1S/C2H3IO/c1-2(3)4/h1H3
• InChIKey: LEKJTGQWLAUGQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acetyl iodide
• IUPAC Systematic name: Acetyl iodide
• IUPAC Traditional name: acetyl iodide
• Synonyms: Acetyl iodide

Database IDs

• CAS Number: 507-02-8
• EC Number: 208-062-2
• PubChem SID: 162219955
• PubChem CID: 10483
• Chemspider ID: 10051
• Wikipedia Title: Acetyl_iodide

CALCULATED PROPERTIES

• Acid pKa: 19.113499
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.44729418
• LogD (pH = 7.4): 0.44729418
• Log P: 0.44729418
• Molar Refractivity: 23.7067 cm^3
• Polarizability: 9.935146 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water
• Boiling Point: 107.85°C (381K)
• Std enthalpy of formation: -163.18--161.42 kJ mol^-1

Safety Information

• UN Number: 1898