ChemSpider 2D Image | 4,4-Dimethyl(2-~2~H_1_)cyclohexanone | C8H13DO

4,4-Dimethyl(2-2H1)cyclohexanone

  • Molecular FormulaC8H13DO
  • Average mass127.202 Da
  • Monoisotopic mass127.110741 Da
  • ChemSpider ID62922604

  • Non-standard isotope - Non-standard isotope

More details:

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

4,4-Dimethyl(2-2H1)cyclohexanon [German] [ACD/IUPAC Name]
4,4-Dimethyl(2-2H1)cyclohexanone [ACD/IUPAC Name]
4,4-Diméthyl(2-2H1)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone-2-d, 4,4-dimethyl- [ACD/Index Name]
78497-50-4 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 170.6±8.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.7±3.0 kJ/mol
Flash Point: 50.1±10.7 °C
Index of Refraction: 1.438
Molar Refractivity: 37.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.15
ACD/KOC (pH 5.5): 182.77
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.15
ACD/KOC (pH 7.4): 182.77
Polar Surface Area: 17 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 27.0±3.0 dyne/cm
Molar Volume: 141.4±3.0 cm3

Click to predict properties on the Chemicalize site


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