ChemSpider 2D Image | (2-Isopropyl-4-methoxyphenoxy)acetonitrile | C12H15NO2

(2-Isopropyl-4-methoxyphenoxy)acetonitrile

  • Molecular FormulaC12H15NO2
  • Average mass205.253 Da
  • Monoisotopic mass205.110275 Da
  • ChemSpider ID26548905

More details:

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

(2-Isopropyl-4-methoxyphenoxy)acetonitril [German] [ACD/IUPAC Name]
(2-Isopropyl-4-methoxyphenoxy)acetonitrile [ACD/IUPAC Name]
(2-Isopropyl-4-méthoxyphénoxy)acétonitrile [French] [ACD/IUPAC Name]
2-(4-methoxy-2-propan-2-ylphenoxy)acetonitrile
927872-64-8 [RN]
Acetonitrile, 2-[4-methoxy-2-(1-methylethyl)phenoxy]- [ACD/Index Name]
[4-Methoxy-2-(propan-2-yl)phenoxy]acetonitrile
2-(2-isopropyl-4-methoxyphenoxy)acetonitrile
MFCD22041914

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 336.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±3.0 kJ/mol
    Flash Point: 125.1±19.7 °C
    Index of Refraction: 1.503
    Molar Refractivity: 58.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 58.39
    ACD/KOC (pH 5.5): 639.70
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 58.39
    ACD/KOC (pH 7.4): 639.70
    Polar Surface Area: 42 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 36.1±3.0 dyne/cm
    Molar Volume: 197.4±3.0 cm3

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