ChemSpider 2D Image | 3-(4-methanesulfonylphenoxy)propanoic acid | C10H12O5S

3-(4-methanesulfonylphenoxy)propanoic acid

  • Molecular FormulaC10H12O5S
  • Average mass244.264 Da
  • Monoisotopic mass244.040543 Da
  • ChemSpider ID25993258

More details:

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

3-(4-methanesulfonylphenoxy)propanoic acid
3-[4-(Methylsulfonyl)phenoxy]propanoic acid [ACD/IUPAC Name]
3-[4-(Methylsulfonyl)phenoxy]propansäure [German] [ACD/IUPAC Name]
868277-53-6 [RN]
Acide 3-[4-(méthylsulfonyl)phénoxy]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[4-(methylsulfonyl)phenoxy]- [ACD/Index Name]
MFCD12066109 [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: 447.4±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.4±27.6 °C
Index of Refraction: 1.541
Molar Refractivity: 57.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 182.9±3.0 cm3

Click to predict properties on the Chemicalize site


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