ChemSpider 2D Image | beta,psi-Caroten-4-one | C40H54O

β,ψ-Caroten-4-one

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID17220949

  • Double-bond stereo - Double-bond stereo

More details:

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

β,ψ-Caroten-4-one [ACD/Index Name] [ACD/IUPAC Name]
β,ψ-Carotén-4-one [French] [ACD/IUPAC Name]
β,ψ-Carotin-4-on [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 688.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 373.7±16.8 °C
Index of Refraction: 1.552
Molar Refractivity: 186.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 12.94
ACD/LogD (pH 5.5): 11.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 17 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 583.7±3.0 cm3

Click to predict properties on the Chemicalize site


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