ChemSpider 2D Image | 4-(Benzylsulfonyl)butanoic acid | C11H14O4S

4-(Benzylsulfonyl)butanoic acid

  • Molecular FormulaC11H14O4S
  • Average mass242.292 Da
  • Monoisotopic mass242.061279 Da
  • ChemSpider ID23375985

More details:

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

4-(Benzylsulfonyl)butanoic acid [ACD/IUPAC Name]
4-(Benzylsulfonyl)butansäure [German] [ACD/IUPAC Name]
Acide 4-(benzylsulfonyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(phenylmethyl)sulfonyl]- [ACD/Index Name]
100059-54-9 [RN]
4-benzylsulfonylbutanoic acid
4-phenylmethanesulfonylbutanoic acid
AKOS005207575
F2182-0134
L-2763
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 511.9±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 263.4±28.2 °C
    Index of Refraction: 1.557
    Molar Refractivity: 60.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.86
    ACD/LogD (pH 5.5): -0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.00
    ACD/LogD (pH 7.4): -1.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 80 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 187.4±3.0 cm3

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