ChemSpider 2D Image | (13cis)-beta,beta-Carotene-4,4'-dione | C40H52O2

(13cis)-β,β-Carotene-4,4'-dione

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID9105051

  • Double-bond stereo - Double-bond stereo

More details:

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

(13cis)-β,β-Carotene-4,4'-dione [ACD/IUPAC Name]
(13cis)-β,β-Carotène-4,4'-dione [French] [ACD/IUPAC Name]
(13cis)-β,β-Carotin-4,4'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-dione, (13cis)- [ACD/Index Name]
101915-56-4 [RN]
2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 717.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 253.9±24.3 °C
Index of Refraction: 1.575
Molar Refractivity: 186.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.69
ACD/LogD (pH 5.5): 9.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3315749.50
ACD/LogD (pH 7.4): 9.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3315749.50
Polar Surface Area: 34 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 563.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement