ChemSpider 2D Image | 4-(4-Phenyl-1,3-butadiyn-1-yl)benzoic acid | C17H10O2

4-(4-Phenyl-1,3-butadiyn-1-yl)benzoic acid

  • Molecular FormulaC17H10O2
  • Average mass246.260 Da
  • Monoisotopic mass246.068085 Da
  • ChemSpider ID67161392

More details:

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

4-(4-Phenyl-1,3-butadiin-1-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(4-Phenyl-1,3-butadiyn-1-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(4-phényl-1,3-butadiyn-1-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-phenyl-1,3-butadiyn-1-yl)- [ACD/Index Name]
4-(phenylbuta-1,3-diyn-1-yl)benzoic acid
728878-13-5 [RN]
MFCD25121848

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 439.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 199.8±21.2 °C
    Index of Refraction: 1.672
    Molar Refractivity: 72.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.08
    ACD/LogD (pH 5.5): 4.00
    ACD/BCF (pH 5.5): 295.36
    ACD/KOC (pH 5.5): 808.52
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 9.23
    ACD/KOC (pH 7.4): 25.27
    Polar Surface Area: 37 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 67.3±5.0 dyne/cm
    Molar Volume: 193.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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