ChemSpider 2D Image | 3,5-Bis[(~2~H_3_)methyl](3,4,4,5-~2~H_4_)cyclohexanone | C8H4D10O

3,5-Bis[(2H3)methyl](3,4,4,5-2H4)cyclohexanone

  • Molecular FormulaC8H4D10O
  • Average mass136.258 Da
  • Monoisotopic mass136.167236 Da
  • ChemSpider ID24533799
  • Non-standard isotope - Non-standard isotope


More details:






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

3,5-Bis[(2H3)methyl](3,4,4,5-2H4)cyclohexanon [German] [ACD/IUPAC Name]
3,5-Bis[(2H3)methyl](3,4,4,5-2H4)cyclohexanone [ACD/IUPAC Name]
3,5-Bis[(2H3)méthyl](3,4,4,5-2H4)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone-3,4,4,5-d4, 3,5-di(methyl-d3)- [ACD/Index Name]
1219804-55-3 [RN]
3,5-Dimethyl-d6-cyclohexanone-3,4,4,5-d4
3,5-Dimethyl-d6-cyclohexanone-3,4,4,5-d4 (mixture of isomers)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 182.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 53.8±10.7 °C
Index of Refraction: 1.434
Molar Refractivity: 37.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.85
ACD/KOC (pH 5.5): 204.22
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.85
ACD/KOC (pH 7.4): 204.22
Polar Surface Area: 17 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 25.7±3.0 dyne/cm
Molar Volume: 142.9±3.0 cm3

Click to predict properties on the Chemicalize site






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