ChemSpider 2D Image | 2-{[4'-(Ethylsulfonyl)-2'-methyl-5-(trifluoromethyl)-2-biphenylyl]oxy}butanoic acid | C20H21F3O5S

2-{[4'-(Ethylsulfonyl)-2'-methyl-5-(trifluoromethyl)-2-biphenylyl]oxy}butanoic acid

  • Molecular FormulaC20H21F3O5S
  • Average mass430.438 Da
  • Monoisotopic mass430.106171 Da
  • ChemSpider ID26338456

More details:

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

2-{[4'-(Ethylsulfonyl)-2'-methyl-5-(trifluormethyl)-2-biphenylyl]oxy}butansäure [German] [ACD/IUPAC Name]
2-{[4'-(Ethylsulfonyl)-2'-methyl-5-(trifluoromethyl)-2-biphenylyl]oxy}butanoic acid [ACD/IUPAC Name]
Acide 2-{[4'-(éthylsulfonyl)-2'-méthyl-5-(trifluorométhyl)-2-biphénylyl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.3±30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 12.72
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 331.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement