ChemSpider 2D Image | Methyl 4-(methylsulfonyl)butanoate | C6H12O4S

Methyl 4-(methylsulfonyl)butanoate

  • Molecular FormulaC6H12O4S
  • Average mass180.222 Da
  • Monoisotopic mass180.045624 Da
  • ChemSpider ID25992755

More details:

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

4-(Méthylsulfonyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(methylsulfonyl)-, methyl ester [ACD/Index Name]
Methyl 4-(methylsulfonyl)butanoate [ACD/IUPAC Name]
Methyl-4-(methylsulfonyl)butanoat [German] [ACD/IUPAC Name]
67399-14-8 [RN]
methyl 4-methanesulfonylbutanoate
MFCD12823563 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 328.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.6±23.2 °C
Index of Refraction: 1.445
Molar Refractivity: 40.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.86
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.86
Polar Surface Area: 69 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 152.1±3.0 cm3

Click to predict properties on the Chemicalize site


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