ChemSpider 2D Image | 1-[3-(Methylsulfonyl)phenyl]cyclopentanecarboxylic acid | C13H16O4S

1-[3-(Methylsulfonyl)phenyl]cyclopentanecarboxylic acid

  • Molecular FormulaC13H16O4S
  • Average mass268.329 Da
  • Monoisotopic mass268.076935 Da
  • ChemSpider ID65448103

More details:

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

1-[3-(Methylsulfonyl)phenyl]cyclopentancarbonsäure [German] [ACD/IUPAC Name]
1-[3-(Methylsulfonyl)phenyl]cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide 1-[3-(méthylsulfonyl)phényl]cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-[3-(methylsulfonyl)phenyl]- [ACD/Index Name]
1-(3-methanesulfonylphenyl)cyclopentane-1-carboxylic acid
1891969-16-6 [RN]
MFCD31657879

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 510.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.3±3.0 kJ/mol
    Flash Point: 262.7±30.1 °C
    Index of Refraction: 1.572
    Molar Refractivity: 67.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): -0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.16
    ACD/LogD (pH 7.4): -1.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 51.8±3.0 dyne/cm
    Molar Volume: 205.4±3.0 cm3

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