ChemSpider 2D Image | Methyl 3-[bis(phenylsulfanyl)methyl]octanoate | C22H28O2S2

Methyl 3-[bis(phenylsulfanyl)methyl]octanoate

  • Molecular FormulaC22H28O2S2
  • Average mass388.586 Da
  • Monoisotopic mass388.153076 Da
  • ChemSpider ID74065297

More details:

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

3-[Bis(phénylsulfanyl)méthyl]octanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[bis(phenylsulfanyl)methyl]octanoate [ACD/IUPAC Name]
Methyl-3-[bis(phenylsulfanyl)methyl]octanoat [German] [ACD/IUPAC Name]
Octanoic acid, 3-[bis(phenylthio)methyl]-, methyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 245.6±15.4 °C
Index of Refraction: 1.584
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 200260.69
ACD/KOC (pH 5.5): 216999.23
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 200260.69
ACD/KOC (pH 7.4): 216999.23
Polar Surface Area: 77 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 345.6±5.0 cm3

Click to predict properties on the Chemicalize site


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