ChemSpider 2D Image | 4-(4-methanesulfonylphenoxy)butanoic acid | C11H14O5S

4-(4-methanesulfonylphenoxy)butanoic acid

  • Molecular FormulaC11H14O5S
  • Average mass258.291 Da
  • Monoisotopic mass258.056183 Da
  • ChemSpider ID25993259

More details:

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

1157776-47-0 [RN]
4-(4-methanesulfonylphenoxy)butanoic acid
4-[4-(Methylsulfonyl)phenoxy]butanoic acid [ACD/IUPAC Name]
4-[4-(Methylsulfonyl)phenoxy]butansäure [German] [ACD/IUPAC Name]
Acide 4-[4-(méthylsulfonyl)phénoxy]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[4-(methylsulfonyl)phenoxy]- [ACD/Index Name]
MFCD12066105 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.0±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.52
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 199.4±3.0 cm3

Click to predict properties on the Chemicalize site


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