ChemSpider 2D Image | 3-(2,2,2-Trifluoroethoxy)propionitrile | C5H6F3NO

3-(2,2,2-Trifluoroethoxy)propionitrile

  • Molecular FormulaC5H6F3NO
  • Average mass153.102 Da
  • Monoisotopic mass153.040146 Da
  • ChemSpider ID21469720

More details:

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

272128-06-0 [RN]
3-(2,2,2-Trifluorethoxy)propannitril [German] [ACD/IUPAC Name]
3-(2,2,2-Trifluoroethoxy)propanenitrile [ACD/IUPAC Name]
3-(2,2,2-Trifluoroéthoxy)propanenitrile [French] [ACD/IUPAC Name]
3-(2,2,2-Trifluoroethoxy)propionitrile
Propanenitrile, 3-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
[272128-06-0] [RN]
3-(2,2,2-Trifluoroethoxy)propionitrile|3-(2,2,2-Trifluoroethoxy)propanenitrile
CA-5510
Ethyl 2-(4-isobutylphenyl)propanoate [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 185.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.7±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.2±3.0 kJ/mol
    Flash Point: 66.0±25.9 °C
    Index of Refraction: 1.349
    Molar Refractivity: 27.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.34
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 2.93
    ACD/KOC (pH 5.5): 75.15
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.93
    ACD/KOC (pH 7.4): 75.15
    Polar Surface Area: 33 Å2
    Polarizability: 10.8±0.5 10-24cm3
    Surface Tension: 24.4±3.0 dyne/cm
    Molar Volume: 127.2±3.0 cm3

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