ChemSpider 2D Image | 3,4-Didehydroretinol | C20H28O

3,4-Didehydroretinol

  • Molecular FormulaC20H28O
  • Average mass284.436 Da
  • Monoisotopic mass284.214020 Da
  • ChemSpider ID115295459

  • Double-bond stereo - Double-bond stereo

More details:

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

3,4-Didehydroretinol [ACD/IUPAC Name]
3,4-Didehydroretinol [German] [ACD/IUPAC Name]
3,4-Didéhydrorétinol [French] [ACD/IUPAC Name]
Retinol, 3,4-didehydro- [ACD/Index 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: 425.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±6.0 kJ/mol
Flash Point: 151.3±16.4 °C
Index of Refraction: 1.562
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10829.36
ACD/KOC (pH 5.5): 26887.96
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10829.36
ACD/KOC (pH 7.4): 26887.96
Polar Surface Area: 20 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 293.3±3.0 cm3

Click to predict properties on the Chemicalize site


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