ChemSpider 2D Image | Propyl 4-({[1-(cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}methyl)benzoate | C20H28O5S

Propyl 4-({[1-(cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}methyl)benzoate

  • Molecular FormulaC20H28O5S
  • Average mass380.498 Da
  • Monoisotopic mass380.165741 Da
  • ChemSpider ID60152350

More details:

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

4-({[1-(Cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}méthyl)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[2-(cyclohexyloxy)-1-methyl-2-oxoethyl]sulfinyl]methyl]-, propyl ester [ACD/Index Name]
Propyl 4-({[1-(cyclohexyloxy)-1-oxo-2-propanyl]sulfinyl}methyl)benzoate [ACD/IUPAC Name]
Propyl-4-({[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: 558.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 868.04
ACD/KOC (pH 5.5): 4415.77
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 868.04
ACD/KOC (pH 7.4): 4415.77
Polar Surface Area: 89 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

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