ChemSpider 2D Image | Methyl 4-{[11-(butylsulfanyl)undecyl]oxy}benzoate | C23H38O3S

Methyl 4-{[11-(butylsulfanyl)undecyl]oxy}benzoate

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID34253518

More details:

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

4-{[11-(Butylsulfanyl)undécyl]oxy}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[11-(butylthio)undecyl]oxy]-, methyl ester [ACD/Index Name]
Methyl 4-{[11-(butylsulfanyl)undecyl]oxy}benzoate [ACD/IUPAC Name]
Methyl-4-{[11-(butylsulfanyl)undecyl]oxy}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 232.0±9.8 °C
Index of Refraction: 1.505
Molar Refractivity: 117.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 423622.34
ACD/KOC (pH 5.5): 370991.19
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 423622.34
ACD/KOC (pH 7.4): 370991.19
Polar Surface Area: 61 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 396.4±3.0 cm3

Click to predict properties on the Chemicalize site


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