ChemSpider 2D Image | Ethyl 5-isopropyl-2-methyl-3-{[(trifluoromethyl)sulfonyl]oxy}-4-biphenylcarboxylate | C20H21F3O5S

Ethyl 5-isopropyl-2-methyl-3-{[(trifluoromethyl)sulfonyl]oxy}-4-biphenylcarboxylate

  • Molecular FormulaC20H21F3O5S
  • Average mass430.438 Da
  • Monoisotopic mass430.106171 Da
  • ChemSpider ID74837657

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-5-(1-methylethyl)-3-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester [ACD/Index Name]
5-Isopropyl-2-méthyl-3-{[(trifluorométhyl)sulfonyl]oxy}-4-biphénylcarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-isopropyl-2-methyl-3-{[(trifluoromethyl)sulfonyl]oxy}-4-biphenylcarboxylate [ACD/IUPAC Name]
Ethyl-5-isopropyl-2-methyl-3-{[(trifluormethyl)sulfonyl]oxy}-4-biphenylcarboxylat [German] [ACD/IUPAC 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: 502.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.0±30.1 °C
Index of Refraction: 1.513
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37688.19
ACD/KOC (pH 5.5): 65649.46
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37688.19
ACD/KOC (pH 7.4): 65649.46
Polar Surface Area: 78 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 336.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement