ChemSpider 2D Image | Pentafluorobenzyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate | C20H14F5NO4

Pentafluorobenzyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

  • Molecular FormulaC20H14F5NO4
  • Average mass427.322 Da
  • Monoisotopic mass427.084290 Da
  • ChemSpider ID128595719

More details:

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

3-[(3,5-Diméthyl-1,2-oxazol-4-yl)méthoxy]benzoate de pentafluorobenzyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-, (2,3,4,5,6-pentafluorophenyl)methyl ester [ACD/Index Name]
Pentafluorbenzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoat [German] [ACD/IUPAC Name]
Pentafluorobenzyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate [ACD/IUPAC 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: 493.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 252.1±27.3 °C
Index of Refraction: 1.532
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3303.23
ACD/KOC (pH 5.5): 11493.47
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3303.23
ACD/KOC (pH 7.4): 11493.47
Polar Surface Area: 62 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

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