ChemSpider 2D Image | β,β-Caroten-4-ol | C40H56O

β,β-Caroten-4-ol

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID103880370

More details:

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

472-62-8 [RN]
β,β-Caroten-4-ol
β,β-Caroten-4-ol [ACD/Index Name] [ACD/IUPAC Name]
β,β-Carotén-4-ol [French] [ACD/IUPAC Name]
β,β-Carotin-4-ol [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 684.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 294.1±17.9 °C
Index of Refraction: 1.575
Molar Refractivity: 187.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.61
ACD/LogD (pH 5.5): 12.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 567.1±3.0 cm3

Click to predict properties on the Chemicalize site


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