ChemSpider 2D Image | 5-(Diethoxymethyl)-2-fluorobenzonitrile | C12H14FNO2

5-(Diethoxymethyl)-2-fluorobenzonitrile

  • Molecular FormulaC12H14FNO2
  • Average mass223.243 Da
  • Monoisotopic mass223.100861 Da
  • ChemSpider ID26052931

More details:

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

5-(Diethoxymethyl)-2-fluorbenzonitril [German] [ACD/IUPAC Name]
5-(Diethoxymethyl)-2-fluorobenzonitrile [ACD/IUPAC Name]
5-(Diéthoxyméthyl)-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-(diethoxymethyl)-2-fluoro- [ACD/Index Name]
[1176161-37-7] [RN]
1176161-37-7 [RN]
diethoxymethylfluorobenzonitrile
MFCD18904305 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 268.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.7±3.0 kJ/mol
    Flash Point: 116.2±27.3 °C
    Index of Refraction: 1.492
    Molar Refractivity: 58.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 36.24
    ACD/KOC (pH 5.5): 454.65
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 36.24
    ACD/KOC (pH 7.4): 454.65
    Polar Surface Area: 42 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 38.4±5.0 dyne/cm
    Molar Volume: 199.9±5.0 cm3

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