ChemSpider 2D Image | 3,3-Dimethyl-1-(~2~H_3_)methyl-5-oxo(2,2-~2~H_2_)cyclohexanecarbonitrile | C10H10D5NO

3,3-Dimethyl-1-(2H3)methyl-5-oxo(2,2-2H2)cyclohexanecarbonitrile

  • Molecular FormulaC10H10D5NO
  • Average mass170.263 Da
  • Monoisotopic mass170.146744 Da
  • ChemSpider ID48061446

  • Non-standard isotope - Non-standard isotope

More details:

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

3,3-Dimethyl-1-(2H3)methyl-5-oxo(2,2-2H2)cyclohexancarbonitril [German] [ACD/IUPAC Name]
3,3-Dimethyl-1-(2H3)methyl-5-oxo(2,2-2H2)cyclohexanecarbonitrile [ACD/IUPAC Name]
3,3-Diméthyl-1-(2H3)méthyl-5-oxo(2,2-2H2)cyclohexanecarbonitrile [French] [ACD/IUPAC Name]
Cyclohexane-2,2-d2-carbonitrile, 3,3-dimethyl-1-(methyl-d3)-5-oxo- [ACD/Index Name]
1794756-30-1 [RN]
2,2-dideuterio-3,3-dimethyl-5-oxo-1-(trideuteriomethyl)cyclohexane-1-carbonitrile

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

Density: 1.0±0.1 g/cm3
Boiling Point: 269.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 116.9±25.4 °C
Index of Refraction: 1.467
Molar Refractivity: 46.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.31
ACD/KOC (pH 5.5): 197.58
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.31
ACD/KOC (pH 7.4): 197.58
Polar Surface Area: 41 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 35.6±5.0 dyne/cm
Molar Volume: 167.0±5.0 cm3

Click to predict properties on the Chemicalize site


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