ChemSpider 2D Image | 2,2-Dimethyl-1-(3,4,5-trifluorophenyl)-1-butanone | C12H13F3O

2,2-Dimethyl-1-(3,4,5-trifluorophenyl)-1-butanone

  • Molecular FormulaC12H13F3O
  • Average mass230.226 Da
  • Monoisotopic mass230.091843 Da
  • ChemSpider ID21398759

More details:

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

1-Butanone, 2,2-dimethyl-1-(3,4,5-trifluorophenyl)- [ACD/Index Name]
2,2-Dimethyl-1-(3,4,5-trifluorophenyl)-1-butanone [ACD/IUPAC Name]
2,2-Diméthyl-1-(3,4,5-trifluorophényl)-1-butanone [French] [ACD/IUPAC Name]
2,2-Dimethyl-1-(3,4,5-trifluorphenyl)-1-butanon [German] [ACD/IUPAC Name]
2,2-dimethyl-1-(3,4,5-trifluorophenyl)butan-1-one
2,2-dimethyl-3,4,5-trifluorobutyrophenone
2,2-dimethyl-3',4',5'-trifluorobutyrophenone
898766-08-0 [RN]
MFCD03841162 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 268.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 135.5±17.4 °C
Index of Refraction: 1.461
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.36
ACD/KOC (pH 5.5): 1966.44
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 280.36
ACD/KOC (pH 7.4): 1966.44
Polar Surface Area: 17 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 30.2±3.0 dyne/cm
Molar Volume: 199.7±3.0 cm3

Click to predict properties on the Chemicalize site


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