ChemSpider 2D Image | 1-[(2-Propyn-1-yloxy)methyl]pyrene | C20H14O

1-[(2-Propyn-1-yloxy)methyl]pyrene

  • Molecular FormulaC20H14O
  • Average mass270.325 Da
  • Monoisotopic mass270.104462 Da
  • ChemSpider ID26946932

More details:

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

1-[(2-Propin-1-yloxy)methyl]pyren [German] [ACD/IUPAC Name]
1-[(2-Propyn-1-yloxy)methyl]pyrene [ACD/IUPAC Name]
1-[(2-Propyn-1-yloxy)méthyl]pyrène [French] [ACD/IUPAC Name]
Pyrene, 1-[(2-propyn-1-yloxy)methyl]- [ACD/Index Name]
[1115084-83-7] [RN]
1-(prop-2-ynoxymethyl)pyrene
1-(propargyloxymethyl)pyrene
1-[(2Propynyloxy)methyl]pyrene
1-[(2-Propynyloxy)methyl]pyrene
1-[(PROP-2-YN-1-YLOXY)METHYL]PYRENE
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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: 461.3±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±3.0 kJ/mol
    Flash Point: 233.3±17.5 °C
    Index of Refraction: 1.773
    Molar Refractivity: 90.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.39
    ACD/LogD (pH 5.5): 5.23
    ACD/BCF (pH 5.5): 5551.86
    ACD/KOC (pH 5.5): 16667.15
    ACD/LogD (pH 7.4): 5.23
    ACD/BCF (pH 7.4): 5551.86
    ACD/KOC (pH 7.4): 16667.15
    Polar Surface Area: 9 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 59.2±3.0 dyne/cm
    Molar Volume: 217.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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