ChemSpider 2D Image | 4-(2-Pyridinyloxy)phenyl 2-(trifluoromethyl)benzenesulfonate | C18H12F3NO4S

4-(2-Pyridinyloxy)phenyl 2-(trifluoromethyl)benzenesulfonate

  • Molecular FormulaC18H12F3NO4S
  • Average mass395.352 Da
  • Monoisotopic mass395.043915 Da
  • ChemSpider ID21975061

More details:

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

2-(Trifluorométhyl)benzènesulfonate de 4-(2-pyridinyloxy)phényle [French] [ACD/IUPAC Name]
4-(2-Pyridinyloxy)phenyl 2-(trifluoromethyl)benzenesulfonate [ACD/IUPAC Name]
4-(2-Pyridinyloxy)phenyl-2-(trifluormethyl)benzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-(trifluoromethyl)-, 4-(2-pyridinyloxy)phenyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 505.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 259.8±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 581.11
ACD/KOC (pH 5.5): 3312.79
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 581.40
ACD/KOC (pH 7.4): 3314.45
Polar Surface Area: 74 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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