ChemSpider 2D Image | 4-(Cyclopentylsulfanyl)benzaldehyde | C12H14OS

4-(Cyclopentylsulfanyl)benzaldehyde

  • Molecular FormulaC12H14OS
  • Average mass206.304 Da
  • Monoisotopic mass206.076538 Da
  • ChemSpider ID27127016

More details:

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

4-(Cyclopentylsulfanyl)benzaldehyde [ACD/IUPAC Name]
862500-32-1 [RN]
4-(Cyclopentylsulfanyl)benzaldehyd [German] [ACD/IUPAC Name]
4-(Cyclopentylsulfanyl)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 4-(cyclopentylthio)- [ACD/Index Name]
MFCD18888034

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 345.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.9±3.0 kJ/mol
    Flash Point: 182.3±8.9 °C
    Index of Refraction: 1.585
    Molar Refractivity: 60.8±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.98
    ACD/LogD (pH 5.5): 3.98
    ACD/BCF (pH 5.5): 624.88
    ACD/KOC (pH 5.5): 3490.04
    ACD/LogD (pH 7.4): 3.98
    ACD/BCF (pH 7.4): 624.88
    ACD/KOC (pH 7.4): 3490.04
    Polar Surface Area: 42 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 45.9±5.0 dyne/cm
    Molar Volume: 181.4±5.0 cm3

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