ChemSpider 2D Image | Methyl 4-(methyldisulfanyl)butanoate | C6H12O2S2

Methyl 4-(methyldisulfanyl)butanoate

  • Molecular FormulaC6H12O2S2
  • Average mass180.288 Da
  • Monoisotopic mass180.027863 Da
  • ChemSpider ID64954860

More details:

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

4-(Méthyldisulfanyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(methyldithio)-, methyl ester [ACD/Index Name]
Methyl 4-(methyldisulfanyl)butanoate [ACD/IUPAC Name]
Methyl-4-(methyldisulfanyl)butanoat [German] [ACD/IUPAC Name]
2137584-82-6 [RN]
MFCD31457152

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

Density: 1.1±0.1 g/cm3
Boiling Point: 243.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 105.1±10.6 °C
Index of Refraction: 1.511
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.19
ACD/KOC (pH 5.5): 389.39
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.19
ACD/KOC (pH 7.4): 389.39
Polar Surface Area: 77 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 159.0±3.0 cm3

Click to predict properties on the Chemicalize site


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