ChemSpider 2D Image | 7,8-Didehydro-beta,beta-caroten-3-ol | C40H54O

7,8-Didehydro-β,β-caroten-3-ol

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID10470027

  • Double-bond stereo - Double-bond stereo

More details:

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

7,8-Didehydro-β,β-caroten-3-ol [ACD/IUPAC Name]
7,8-Didéhydro-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
7,8-Didehydro-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
β,β-Caroten-3-ol, 7,8-didehydro- [ACD/Index Name]
allobetaxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 679.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 266.6±24.5 °C
Index of Refraction: 1.560
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.85
ACD/LogD (pH 5.5): 12.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 556.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement