ChemSpider 2D Image | 2,2,2-Trifluoro-1-(2-isobutoxy-5-methylphenyl)ethanone | C13H15F3O2

2,2,2-Trifluoro-1-(2-isobutoxy-5-methylphenyl)ethanone

  • Molecular FormulaC13H15F3O2
  • Average mass260.252 Da
  • Monoisotopic mass260.102417 Da
  • ChemSpider ID35331171

More details:

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

1443332-77-1 [RN]
2,2,2-Trifluor-1-(2-isobutoxy-5-methylphenyl)ethanon [German] [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(2-isobutoxy-5-methylphenyl)ethanone [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(2-isobutoxy-5-méthylphényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2,2-trifluoro-1-[5-methyl-2-(2-methylpropoxy)phenyl]- [ACD/Index Name]
2'-iso-Butoxy-5'-methyl-2,2,2-trifluoroacetophenone
atoms 18 bonds 18
MFCD18426985

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

Density: 1.1±0.1 g/cm3
Boiling Point: 288.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 124.3±20.8 °C
Index of Refraction: 1.458
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 361.05
ACD/KOC (pH 5.5): 2356.75
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 361.05
ACD/KOC (pH 7.4): 2356.75
Polar Surface Area: 26 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 227.5±3.0 cm3

Click to predict properties on the Chemicalize site


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