ChemSpider 2D Image | beta,beta-Carotene-4,4'-dione | C40H52O2

β,β-Carotene-4,4'-dione

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID10135

More details:

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

β,β-Carotene-4,4'-dione [ACD/Index Name] [ACD/IUPAC Name]
β,β-Carotène-4,4'-dione [French] [ACD/IUPAC Name]
β,β-Carotin-4,4'-dion [German] [ACD/IUPAC Name]
Canthaxanthin (trans)

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

DivK1c_006775 [DBID]
KBio1_001719 [DBID]
NSC374110 [DBID]
SpecPlus_000679 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 717.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 253.9±24.3 °C
Index of Refraction: 1.575
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.62
ACD/LogD (pH 5.5): 9.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3143114.75
ACD/LogD (pH 7.4): 9.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3143114.75
Polar Surface Area: 34 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 563.1±3.0 cm3

Click to predict properties on the Chemicalize site


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