ChemSpider 2D Image | (5cis,9cis)-7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene | C40H64

(5cis,9cis)-7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotene

  • Molecular FormulaC40H64
  • Average mass544.936 Da
  • Monoisotopic mass544.500793 Da
  • ChemSpider ID24808140

  • Double-bond stereo - Double-bond stereo

More details:

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

(5cis,9cis)-7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotene [ACD/IUPAC Name]
(5cis,9cis)-7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotène [French] [ACD/IUPAC Name]
(5cis,9cis)-7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotin [German] [ACD/IUPAC Name]
ψ,ψ-Carotene, 7,7',8,8',11,11',12,12'-octahydro-, (5cis,9cis)- [ACD/Index Name]
540-04-5 [RN]
Phytoene [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: 620.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±0.8 kJ/mol
Flash Point: 333.0±24.9 °C
Index of Refraction: 1.504
Molar Refractivity: 186.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 16.60
ACD/LogD (pH 5.5): 15.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 629.7±3.0 cm3

Click to predict properties on the Chemicalize site


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