ChemSpider 2D Image | 3',4'-Didehydro-beta,beta-carotene | C40H54

3',4'-Didehydro-β,β-carotene

  • Molecular FormulaC40H54
  • Average mass534.857 Da
  • Monoisotopic mass534.422546 Da
  • ChemSpider ID17220869

  • Double-bond stereo - Double-bond stereo

More details:

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

3',4'-Didehydro-β,β-carotene [ACD/IUPAC Name]
3',4'-Didéhydro-β,β-carotène [French] [ACD/IUPAC Name]
3',4'-Didehydro-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 3,4-didehydro- [ACD/Index Name]
3,4-Didehydro-β-carotene
BCR
β-Carotene [Wiki]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 657.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 93.3±0.8 kJ/mol
Flash Point: 346.8±17.2 °C
Index of Refraction: 1.573
Molar Refractivity: 185.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 14.97
ACD/LogD (pH 5.5): 12.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 563.4±3.0 cm3

Click to predict properties on the Chemicalize site


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