ChemSpider 2D Image | 2,2-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1-propanone | C12H13F3O

2,2-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1-propanone

  • Molecular FormulaC12H13F3O
  • Average mass230.226 Da
  • Monoisotopic mass230.091843 Da
  • ChemSpider ID21398775

More details:

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

1-Propanone, 2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
2,2-Dimethyl-1-[2-(trifluormethyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
2,2-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1-propanone [ACD/IUPAC Name]
2,2-Diméthyl-1-[2-(trifluorométhyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
2,2-dimethyl -2'-trifluoromethylpropiophenone
2,2-dimethyl-2'-trifluoromethylpropiophenone
898766-36-4 [RN]
MFCD03841190 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 251.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 129.6±18.8 °C
Index of Refraction: 1.453
Molar Refractivity: 55.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 511.53
ACD/KOC (pH 5.5): 3024.21
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 511.53
ACD/KOC (pH 7.4): 3024.21
Polar Surface Area: 17 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 26.8±3.0 dyne/cm
Molar Volume: 204.0±3.0 cm3

Click to predict properties on the Chemicalize site


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