ChemSpider 2D Image | 2-(sec-Butylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethanone | C13H15F3OS

2-(sec-Butylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethanone

  • Molecular FormulaC13H15F3OS
  • Average mass276.318 Da
  • Monoisotopic mass276.079559 Da
  • ChemSpider ID34458772

More details:

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

2-(sec-Butylsulfanyl)-1-[4-(trifluormethyl)phenyl]ethanon [German] [ACD/IUPAC Name]
2-(sec-Butylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethanone [ACD/IUPAC Name]
2-(sec-Butylsulfanyl)-1-[4-(trifluorométhyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(1-methylpropyl)thio]-1-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-(butan-2-ylsulfanyl)-1-[4-(trifluoromethyl)phenyl]ethan-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 333.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 155.7±27.9 °C
Index of Refraction: 1.489
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1387.93
ACD/KOC (pH 5.5): 6178.80
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1387.93
ACD/KOC (pH 7.4): 6178.80
Polar Surface Area: 42 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 234.8±3.0 cm3

Click to predict properties on the Chemicalize site


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