ChemSpider 2D Image | 2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)acetonitrile | C19H21NO

2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)acetonitrile

  • Molecular FormulaC19H21NO
  • Average mass279.376 Da
  • Monoisotopic mass279.162323 Da
  • ChemSpider ID28600223

More details:

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

[2-(Benzyloxy)-5-(2-methyl-2-propanyl)phenyl]acetonitril [German] [ACD/IUPAC Name]
[2-(Benzyloxy)-5-(2-methyl-2-propanyl)phenyl]acetonitrile [ACD/IUPAC Name]
[2-(Benzyloxy)-5-(2-méthyl-2-propanyl)phényl]acétonitrile [French] [ACD/IUPAC Name]
1246213-26-2 [RN]
2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)acetonitrile
Benzeneacetonitrile, 5-(1,1-dimethylethyl)-2-(phenylmethoxy)- [ACD/Index Name]
[2-(Benzyloxy)-5-tert-butylphenyl]acetonitrile
2-(5-tert-butyl-2-phenylmethoxyphenyl)acetonitrile
2-[2-(BENZYLOXY)-5-TERT-BUTYLPHENYL]ACETONITRILE
MFCD26743489

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 410.2±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.3±3.0 kJ/mol
    Flash Point: 172.2±19.3 °C
    Index of Refraction: 1.552
    Molar Refractivity: 85.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.71
    ACD/LogD (pH 5.5): 4.61
    ACD/BCF (pH 5.5): 1874.34
    ACD/KOC (pH 5.5): 7661.29
    ACD/LogD (pH 7.4): 4.61
    ACD/BCF (pH 7.4): 1874.34
    ACD/KOC (pH 7.4): 7661.29
    Polar Surface Area: 33 Å2
    Polarizability: 33.8±0.5 10-24cm3
    Surface Tension: 39.4±3.0 dyne/cm
    Molar Volume: 267.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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