ChemSpider 2D Image | Methyl 12-(phenylsulfanyl)dodecanoate | C19H30O2S

Methyl 12-(phenylsulfanyl)dodecanoate

  • Molecular FormulaC19H30O2S
  • Average mass322.505 Da
  • Monoisotopic mass322.196655 Da
  • ChemSpider ID28711853

More details:

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

12-(Phénylsulfanyl)dodécanoate de méthyle [French] [ACD/IUPAC Name]
Dodecanoic acid, 12-(phenylthio)-, methyl ester [ACD/Index Name]
Methyl 12-(phenylsulfanyl)dodecanoate [ACD/IUPAC Name]
Methyl-12-(phenylsulfanyl)dodecanoat [German] [ACD/IUPAC Name]
94473-28-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 417.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 187.8±9.2 °C
Index of Refraction: 1.517
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25495.06
ACD/KOC (pH 5.5): 49627.96
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25495.06
ACD/KOC (pH 7.4): 49627.96
Polar Surface Area: 52 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 320.1±5.0 cm3

Click to predict properties on the Chemicalize site


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