ChemSpider 2D Image | (3aS,7aS)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-Hexadecafluorooctahydro-1H-indene | C9F16

(3aS,7aS)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-Hexadecafluorooctahydro-1H-indene

  • Molecular FormulaC9F16
  • Average mass412.071 Da
  • Monoisotopic mass411.974457 Da
  • ChemSpider ID24591550

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aS)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-Hexadecafluoroctahydro-1H-inden [German] [ACD/IUPAC Name]
(3aS,7aS)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-Hexadecafluorooctahydro-1H-indene [ACD/IUPAC Name]
(3aS,7aS)-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-Hexadécafluorooctahydro-1H-indène [French] [ACD/IUPAC Name]
1H-Indene, 1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-hexadecafluorooctahydro-, (3aS,7aS)- [ACD/Index Name]
75240-06-1 [RN]
trans-1,1,2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-Hexadecafluorooctahydro-1H-indene

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

Density: 1.8±0.1 g/cm3
Boiling Point: 121.5±40.0 °C at 760 mmHg
Vapour Pressure: 17.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.5±3.0 kJ/mol
Flash Point: 34.0±19.1 °C
Index of Refraction: 1.296
Molar Refractivity: 41.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1220.24
ACD/KOC (pH 5.5): 5634.79
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1220.24
ACD/KOC (pH 7.4): 5634.79
Polar Surface Area: 0 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 15.1±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

Click to predict properties on the Chemicalize site


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