ChemSpider 2D Image | Methyl 3-({[1-(cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}methyl)benzoate | C18H24O5S

Methyl 3-({[1-(cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}methyl)benzoate

  • Molecular FormulaC18H24O5S
  • Average mass352.445 Da
  • Monoisotopic mass352.134430 Da
  • ChemSpider ID60152671

More details:

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

3-({[1-(Cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-(cyclohexyloxy)-1-methyl-2-oxoethyl]sulfinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 3-({[1-(cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}methyl)benzoate [ACD/IUPAC Name]
Methyl-3-({[1-(cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}methyl)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 280.9±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.58
ACD/KOC (pH 5.5): 970.80
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.58
ACD/KOC (pH 7.4): 970.80
Polar Surface Area: 89 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 285.1±5.0 cm3

Click to predict properties on the Chemicalize site


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