ChemSpider 2D Image | 4-Hydroxy(2,2,3,3-~2~H_4_)cyclohexanone | C6H6D4O2

4-Hydroxy(2,2,3,3-2H4)cyclohexanone

  • Molecular FormulaC6H6D4O2
  • Average mass118.167 Da
  • Monoisotopic mass118.093185 Da
  • ChemSpider ID31046518

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Hydroxy(2,2,3,3-2H4)cyclohexanon [German] [ACD/IUPAC Name]
4-Hydroxy(2,2,3,3-2H4)cyclohexanone [ACD/IUPAC Name]
4-Hydroxy(2,2,3,3-2H4)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone-2,2,3,3-d4, 4-hydroxy- [ACD/Index Name]
13482-24-1 [RN]
4-Hydroxy Cyclohexanone-d4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 226.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.8±6.0 kJ/mol
Flash Point: 91.4±18.0 °C
Index of Refraction: 1.500
Molar Refractivity: 29.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.19
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.19
Polar Surface Area: 37 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 99.9±3.0 cm3

Click to predict properties on the Chemicalize site


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