ChemSpider 2D Image | 1-(Hydroxymethyl)-3-(methylsulfonyl)cyclopentanecarboxylic acid | C8H14O5S

1-(Hydroxymethyl)-3-(methylsulfonyl)cyclopentanecarboxylic acid

  • Molecular FormulaC8H14O5S
  • Average mass222.259 Da
  • Monoisotopic mass222.056198 Da
  • ChemSpider ID35505406

More details:

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

1-(Hydroxymethyl)-3-(methylsulfonyl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
1-(Hydroxymethyl)-3-(methylsulfonyl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide 1-(hydroxyméthyl)-3-(méthylsulfonyl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-(hydroxymethyl)-3-(methylsulfonyl)- [ACD/Index Name]
1823639-34-4 [RN]
1-Hydroxymethyl-3-methanesulfonyl-cyclopentanecarboxylic acid
MFCD28146663

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 499.5±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±6.0 kJ/mol
    Flash Point: 255.9±26.8 °C
    Index of Refraction: 1.543
    Molar Refractivity: 49.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.70
    ACD/LogD (pH 5.5): -2.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 100 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 60.6±5.0 dyne/cm
    Molar Volume: 155.5±5.0 cm3

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