ChemSpider 2D Image | 2,2-Bis[(~2~H_3_)methyl]cyclopentanone | C7H6D6O

2,2-Bis[(2H3)methyl]cyclopentanone

  • Molecular FormulaC7H6D6O
  • Average mass118.207 Da
  • Monoisotopic mass118.126472 Da
  • ChemSpider ID24607653

  • Non-standard isotope - Non-standard isotope

More details:

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

2,2-Bis[(2H3)methyl]cyclopentanon [German] [ACD/IUPAC Name]
2,2-Bis[(2H3)methyl]cyclopentanone [ACD/IUPAC Name]
2,2-Bis[(2H3)méthyl]cyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 2,2-di(methyl-d3)- [ACD/Index Name]
2,2-DIMETHYLCYCLOPENTANONE (D6-METHYL)
2,2-DIMETHYLCYCLOPENTANONE-D6(METHYL)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 148.1±8.0 °C at 760 mmHg
Vapour Pressure: 4.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 32.8±0.0 °C
Index of Refraction: 1.439
Molar Refractivity: 32.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 104.85
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 104.85
Polar Surface Area: 17 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 123.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement