ChemSpider 2D Image | PBI-4050 | C13H18O2

PBI-4050

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID58107628

More details:

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

(3-Pentylphenyl)acetic acid [ACD/IUPAC Name]
(3-Pentylphenyl)essigsäure [German] [ACD/IUPAC Name]
1002101-19-0 [RN]
2-(3-pentylphenyl)acetic acid
879OVM0Y1S
Acide (3-pentylphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-pentyl- [ACD/Index Name]
PBI-4050
Setogepram
1002101-19-0 (free acid)
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 332.2±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.7±3.0 kJ/mol
    Flash Point: 229.2±14.4 °C
    Index of Refraction: 1.523
    Molar Refractivity: 60.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 75.85
    ACD/KOC (pH 5.5): 347.70
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 1.24
    ACD/KOC (pH 7.4): 5.66
    Polar Surface Area: 37 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 40.2±3.0 dyne/cm
    Molar Volume: 199.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement