ChemSpider 2D Image | 4-(Difluoromethoxy)-3-ethoxybenzeneacetonitrile | C11H11F2NO2

4-(Difluoromethoxy)-3-ethoxybenzeneacetonitrile

  • Molecular FormulaC11H11F2NO2
  • Average mass227.207 Da
  • Monoisotopic mass227.075790 Da
  • ChemSpider ID25997287

More details:

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

[4-(Difluormethoxy)-3-ethoxyphenyl]acetonitril [German] [ACD/IUPAC Name]
[4-(Difluoromethoxy)-3-ethoxyphenyl]acetonitrile [ACD/IUPAC Name]
[4-(Difluorométhoxy)-3-éthoxyphényl]acétonitrile [French] [ACD/IUPAC Name]
1193389-10-4 [RN]
2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetonitrile
4-(Difluoromethoxy)-3-ethoxybenzeneacetonitrile
Benzeneacetonitrile, 4-(difluoromethoxy)-3-ethoxy- [ACD/Index Name]
MFCD12912861 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 307.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 139.6±26.5 °C
Index of Refraction: 1.476
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.34
ACD/KOC (pH 5.5): 234.18
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.34
ACD/KOC (pH 7.4): 234.18
Polar Surface Area: 42 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 191.4±3.0 cm3

Click to predict properties on the Chemicalize site


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