ChemSpider 2D Image | kappa,kappa-Carotene-3,3',6,6'-tetrone | C40H52O4

κ,κ-Carotene-3,3',6,6'-tetrone

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID59700260

  • Double-bond stereo - Double-bond stereo

More details:

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

κ,κ-Carotene-3,3',6,6'-tetrone [ACD/Index Name] [ACD/IUPAC Name]
κ,κ-Carotène-3,3',6,6'-tétrone [French] [ACD/IUPAC Name]
κ,κ-Carotin-3,3',6,6'-tetron [German] [ACD/IUPAC Name]
Capsorubone
κ,κ-Carotene-3,6,3',6'-tetrone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 336.6±18.5 °C
Index of Refraction: 1.533
Molar Refractivity: 183.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 63542.58
ACD/KOC (pH 5.5): 95414.58
ACD/LogD (pH 7.4): 6.62
ACD/BCF (pH 7.4): 63542.58
ACD/KOC (pH 7.4): 95414.58
Polar Surface Area: 68 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 589.9±3.0 cm3

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