ChemSpider 2D Image | (9cis)-7,7',8,8'-Tetradehydro-9',10'-dihydro-beta,beta-carotene | C40H54

(9cis)-7,7',8,8'-Tetradehydro-9',10'-dihydro-β,β-carotene

  • Molecular FormulaC40H54
  • Average mass534.857 Da
  • Monoisotopic mass534.422546 Da
  • ChemSpider ID17279457

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis)-7,7',8,8'-Tetradehydro-9',10'-dihydro-β,β-carotene [ACD/IUPAC Name]
(9cis)-7,7',8,8'-Tétradéhydro-9',10'-dihydro-β,β-carotène [French] [ACD/IUPAC Name]
(9cis)-7,7',8,8'-Tetradehydro-9',10'-dihydro-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 7,7',8,8'-tetradehydro-9,10-dihydro-, (9'cis)- [ACD/Index Name]
BCR
β-Carotene [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 641.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 91.3±0.8 kJ/mol
Flash Point: 351.0±22.9 °C
Index of Refraction: 1.549
Molar Refractivity: 176.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 15.51
ACD/LogD (pH 5.5): 13.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 556.3±5.0 cm3

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