ChemSpider 2D Image | ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5) | C9H6D8O

ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5)

  • Molecular FormulaC9H6D8O
  • Average mass146.256 Da
  • Monoisotopic mass146.154678 Da
  • ChemSpider ID24532677

  • Non-standard isotope - Non-standard isotope

More details:

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

14397-59-2 [RN]
2-Cyclohexen-1-one-2,4,4,6,6-d5, 5,5-dimethyl-3-(methyl-d3)- [ACD/Index Name]
2-Cyclohexen-1-one-2,4,4,6,6-d5, 5,5-dimethyl-3-(methyl-d3)-
5,5-Dimethyl-3-(2H3)methyl(2H5)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
5,5-Dimethyl-3-(2H3)methyl(2H5)-2-cyclohexen-1-one [ACD/IUPAC Name]
5,5-Diméthyl-3-(2H3)méthyl(2H5)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
5,5-Dimethyl-3-(2H3)methyl(2H5)cyclohex-2-en-1-one
ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5)
3,5,5-Trimethyl-2-cyclohexene-1-one
Isoacetophorone
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 215.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 84.4±0.0 °C
Index of Refraction: 1.455
Molar Refractivity: 41.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.32
ACD/KOC (pH 5.5): 289.78
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.32
ACD/KOC (pH 7.4): 289.78
Polar Surface Area: 17 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 26.5±3.0 dyne/cm
Molar Volume: 152.6±3.0 cm3

Click to predict properties on the Chemicalize site


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