ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)(2,2,6,6-~2~H_4_)cyclohexanone | C10H14D4O

4-(2-Methyl-2-propanyl)(2,2,6,6-2H4)cyclohexanone

  • Molecular FormulaC10H14D4O
  • Average mass158.274 Da
  • Monoisotopic mass158.160873 Da
  • ChemSpider ID73988961
  • Non-standard isotope - Non-standard isotope


More details:






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

4-(2-Methyl-2-propanyl)(2,2,6,6-2H4)cyclohexanon [German] [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)(2,2,6,6-2H4)cyclohexanone [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)(2,2,6,6-2H4)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone-2,2,6,6-d4, 4-(1,1-dimethylethyl)- [ACD/Index Name]
15649-46-4 [RN]
4-t-butylcyclohexanone-2,2,6,6-d4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 225.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 96.1±0.0 °C
Index of Refraction: 1.456
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.32
ACD/KOC (pH 5.5): 839.20
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.32
ACD/KOC (pH 7.4): 839.20
Polar Surface Area: 17 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site






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