ChemSpider 2D Image | 3',4'-Didehydro-beta,beta-carotene-2,2'-dione | C40H50O2

3',4'-Didehydro-β,β-carotene-2,2'-dione

  • Molecular FormulaC40H50O2
  • Average mass562.824 Da
  • Monoisotopic mass562.381104 Da
  • ChemSpider ID59700433

  • 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-2,2'-dione [ACD/IUPAC Name]
3',4'-Didéhydro-β,β-carotène-2,2'-dione [French] [ACD/IUPAC Name]
3',4'-Didehydro-β,β-carotin-2,2'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-2,2'-dione, 3,4-didehydro- [ACD/Index Name]
3,4-Didehydro-β,β-carotene-2,2'-dione
Didehydro-2,2'-diketo-β-carotene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 716.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 253.8±21.3 °C
Index of Refraction: 1.582
Molar Refractivity: 185.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.58
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4130059.50
ACD/LogD (pH 7.4): 9.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4130059.50
Polar Surface Area: 34 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 556.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement