ChemSpider 2D Image | 3-[(2,5-Dimethylphenyl)sulfanyl]-1,1,1-trifluoroacetone | C11H11F3OS

3-[(2,5-Dimethylphenyl)sulfanyl]-1,1,1-trifluoroacetone

  • Molecular FormulaC11H11F3OS
  • Average mass248.265 Da
  • Monoisotopic mass248.048264 Da
  • ChemSpider ID28679905

More details:

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

2-Propanone, 3-[(2,5-dimethylphenyl)thio]-1,1,1-trifluoro- [ACD/Index Name]
3-[(2,5-Dimethylphenyl)sulfanyl]-1,1,1-trifluoraceton [German] [ACD/IUPAC Name]
3-[(2,5-Dimethylphenyl)sulfanyl]-1,1,1-trifluoroacetone [ACD/IUPAC Name]
3-[(2,5-Diméthylphényl)sulfanyl]-1,1,1-trifluoroacétone [French] [ACD/IUPAC Name]
125647-99-6 [RN]
3-[(2,5-Dimethylphenyl)sulfanyl]-1,1,1-trifluoropropan-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 258.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.6±3.0 kJ/mol
Flash Point: 110.4±27.3 °C
Index of Refraction: 1.500
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 506.37
ACD/KOC (pH 5.5): 3002.35
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 506.37
ACD/KOC (pH 7.4): 3002.35
Polar Surface Area: 42 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 34.7±5.0 dyne/cm
Molar Volume: 198.5±5.0 cm3

Click to predict properties on the Chemicalize site


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