ChemSpider 2D Image | 1,5-Octadien-3-one | C8H12O

1,5-Octadien-3-one

  • Molecular FormulaC8H12O
  • Average mass124.180 Da
  • Monoisotopic mass124.088814 Da
  • ChemSpider ID23254802

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,5-Octadien-3-on [German] [ACD/IUPAC Name]
1,5-Octadien-3-one [ACD/Index Name] [ACD/IUPAC Name]
1,5-Octadién-3-one [French] [ACD/IUPAC Name]
65213-86-7 [RN]
octa-1,5-dien-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 169.1±19.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 53.5±14.7 °C
Index of Refraction: 1.444
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.49
ACD/KOC (pH 5.5): 333.32
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.49
ACD/KOC (pH 7.4): 333.32
Polar Surface Area: 17 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 146.4±3.0 cm3

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