ChemSpider 2D Image | Methyl 4-(4-phenyl-1,3-butadiyn-1-yl)benzoate | C18H12O2

Methyl 4-(4-phenyl-1,3-butadiyn-1-yl)benzoate

  • Molecular FormulaC18H12O2
  • Average mass260.287 Da
  • Monoisotopic mass260.083740 Da
  • ChemSpider ID67161393

More details:

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

4-(4-Phényl-1,3-butadiyn-1-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-phenyl-1,3-butadiyn-1-yl)-, methyl ester [ACD/Index Name]
Methyl 4-(4-phenyl-1,3-butadiyn-1-yl)benzoate [ACD/IUPAC Name]
Methyl-4-(4-phenyl-1,3-butadiin-1-yl)benzoat [German] [ACD/IUPAC Name]
297178-34-8 [RN]
methyl 4-(phenylbuta-1,3-diyn-1-yl)benzoate
MFCD25121847

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 408.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.0±3.0 kJ/mol
    Flash Point: 172.1±23.9 °C
    Index of Refraction: 1.626
    Molar Refractivity: 77.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.38
    ACD/LogD (pH 5.5): 5.20
    ACD/BCF (pH 5.5): 5321.54
    ACD/KOC (pH 5.5): 16169.24
    ACD/LogD (pH 7.4): 5.20
    ACD/BCF (pH 7.4): 5321.54
    ACD/KOC (pH 7.4): 16169.24
    Polar Surface Area: 26 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 56.0±5.0 dyne/cm
    Molar Volume: 218.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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