ChemSpider 2D Image | 3-{[2-(Trifluoromethoxy)ethyl]sulfinyl}propanoic acid | C6H9F3O4S

3-{[2-(Trifluoromethoxy)ethyl]sulfinyl}propanoic acid

  • Molecular FormulaC6H9F3O4S
  • Average mass234.193 Da
  • Monoisotopic mass234.017365 Da
  • ChemSpider ID49116784

More details:

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

3-{[2-(Trifluormethoxy)ethyl]sulfinyl}propansäure [German] [ACD/IUPAC Name]
3-{[2-(Trifluoromethoxy)ethyl]sulfinyl}propanoic acid [ACD/IUPAC Name]
Acide 3-{[2-(trifluorométhoxy)éthyl]sulfinyl}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[2-(trifluoromethoxy)ethyl]sulfinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 359.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.4±6.0 kJ/mol
Flash Point: 171.1±27.9 °C
Index of Refraction: 1.462
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 154.5±3.0 cm3

Click to predict properties on the Chemicalize site


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