ChemSpider 2D Image | 3-{4-Methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,2-oxiranedicarbonitrile | C18H9F5N2O3

3-{4-Methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,2-oxiranedicarbonitrile

  • Molecular FormulaC18H9F5N2O3
  • Average mass396.268 Da
  • Monoisotopic mass396.053345 Da
  • ChemSpider ID102513281

More details:

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

2,2-Oxiranedicarbonitrile, 3-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]- [ACD/Index Name]
3-{4-Methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,2-oxiranedicarbonitrile [ACD/IUPAC Name]
3-{4-Méthoxy-3-[(pentafluorophénoxy)méthyl]phényl}-2,2-oxiranedicarbonitrile [French] [ACD/IUPAC Name]
3-{4-Methoxy-3-[(pentafluorphenoxy)methyl]phenyl}-2,2-oxirandicarbonitril [German] [ACD/IUPAC 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: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 160.62
ACD/KOC (pH 5.5): 1319.85
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.62
ACD/KOC (pH 7.4): 1319.85
Polar Surface Area: 79 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 258.2±5.0 cm3

Click to predict properties on the Chemicalize site


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