ChemSpider 2D Image | (13cis,13'cis)-4,4'-Didehydro-6,6'-dihydro-beta,beta-carotene | C40H56

(13cis,13'cis)-4,4'-Didehydro-6,6'-dihydro-β,β-carotene

  • Molecular FormulaC40H56
  • Average mass536.873 Da
  • Monoisotopic mass536.438232 Da
  • ChemSpider ID57492811

  • Double-bond stereo - Double-bond stereo

More details:

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

(13cis,13'cis)-4,4'-Didehydro-6,6'-dihydro-β,β-carotene [ACD/IUPAC Name]
(13cis,13'cis)-4,4'-Didéhydro-6,6'-dihydro-β,β-carotène [French] [ACD/IUPAC Name]
(13cis,13'cis)-4,4'-Didehydro-6,6'-dihydro-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 4,4'-didehydro-6,6'-dihydro-, (13cis,13'cis)- [ACD/Index Name]
1,5,5-TRIMETHYL-6-[3,7,12,16-TETRAMETHYL-18-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)OCTADECA-1,3,5,7,9,11,13,15,17-NONAEN-1-YL]CYCLOHEX-1-ENE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 635.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 90.5±0.8 kJ/mol
Flash Point: 336.4±26.3 °C
Index of Refraction: 1.561
Molar Refractivity: 185.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 15.39
ACD/LogD (pH 5.5): 12.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 574.1±3.0 cm3

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