ChemSpider 2D Image | Cyclohexanone-3,3,4,4,5,5-d6 | C6H4D6O

Cyclohexanone-3,3,4,4,5,5-d6

  • Molecular FormulaC6H4D6O
  • Average mass104.180 Da
  • Monoisotopic mass104.110825 Da
  • ChemSpider ID24532385

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3,4,4,5,5-2H6)Cyclohexanon [German] [ACD/IUPAC Name]
(3,3,4,4,5,5-2H6)Cyclohexanone [ACD/IUPAC Name]
(3,3,4,4,5,5-2H6)Cyclohexanone [French] [ACD/IUPAC Name]
54513-99-4 [RN]
Cyclohexanone-3,3,4,4,5,5-d6 [ACD/Index Name]
Cyclohexanone-3,3,4,4,5,5-d6
3,3,4,4,5,5-hexadeuteriocyclohexan-1-one
Ketohexamethylene
Pimelic ketone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 155.7±0.0 °C at 760 mmHg
Vapour Pressure: 3.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.2±3.0 kJ/mol
Flash Point: 46.7±0.0 °C
Index of Refraction: 1.453
Molar Refractivity: 27.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 73.85
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 73.85
Polar Surface Area: 17 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 103.0±3.0 cm3

Click to predict properties on the Chemicalize site


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