Found 384 results

Search term: MF = 'C_{11}H_{12}O_{5}S'
ChemSpider 2D Image | Methyl 3-oxo-4-(phenylsulfonyl)butanoate | C11H12O5S

Methyl 3-oxo-4-(phenylsulfonyl)butanoate

  • Molecular FormulaC11H12O5S
  • Average mass256.275 Da
  • Monoisotopic mass256.040558 Da
  • ChemSpider ID25938966

More details:

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

3-Oxo-4-(phénylsulfonyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-oxo-4-(phenylsulfonyl)-, methyl ester [ACD/Index Name]
Methyl 3-oxo-4-(phenylsulfonyl)butanoate [ACD/IUPAC Name]
Methyl-3-oxo-4-(phenylsulfonyl)butanoat [German] [ACD/IUPAC Name]
92780-87-5 [RN]
Methyl 4-(benzenesulfonyl)-3-oxobutanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.7±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.0±27.6 °C
Index of Refraction: 1.526
Molar Refractivity: 60.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.63
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 53.21
Polar Surface Area: 86 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 197.8±3.0 cm3

Click to predict properties on the Chemicalize site


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