ChemSpider 2D Image | 3,3,5-Trimethyl-1,2-cyclopentanedione | C8H12O2

3,3,5-Trimethyl-1,2-cyclopentanedione

  • Molecular FormulaC8H12O2
  • Average mass140.180 Da
  • Monoisotopic mass140.083725 Da
  • ChemSpider ID35014854

More details:

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

1,2-Cyclopentanedione, 3,3,5-trimethyl- [ACD/Index Name]
3,3,5-Trimethyl-1,2-cyclopentandion [German] [ACD/IUPAC Name]
3,3,5-Trimethyl-1,2-cyclopentanedione [ACD/IUPAC Name]
3,3,5-Triméthyl-1,2-cyclopentanedione [French] [ACD/IUPAC Name]
2-Hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one, 9CI
2-Hydroxy-3,5,5-trimethyl-2-cyclo-pentenone
3,3,5-trimethylcyclopentane-1,2-dione
3,5,5-Trimethyl-1,2-cyclopentanedione
53263-56-2 [RN]

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 191.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.8±3.0 kJ/mol
Flash Point: 65.8±4.4 °C
Index of Refraction: 1.446
Molar Refractivity: 37.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 100.64
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.41
ACD/KOC (pH 7.4): 100.64
Polar Surface Area: 34 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 29.1±3.0 dyne/cm
Molar Volume: 140.1±3.0 cm3

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