ChemSpider 2D Image | Methyl 3-(acetylsulfanyl)-2-methylbutanoate | C8H14O3S

Methyl 3-(acetylsulfanyl)-2-methylbutanoate

  • Molecular FormulaC8H14O3S
  • Average mass190.260 Da
  • Monoisotopic mass190.066360 Da
  • ChemSpider ID34211923

More details:

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

3-(Acétylsulfanyl)-2-méthylbutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-(acetylthio)-2-methyl-, methyl ester [ACD/Index Name]
Methyl 3-(acetylsulfanyl)-2-methylbutanoate [ACD/IUPAC Name]
Methyl-3-(acetylsulfanyl)-2-methylbutanoat [German] [ACD/IUPAC Name]
1221397-61-0 [RN]
Methyl 3-acetylthio-2-methylbutanoate
MFCD26407973

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

Density: 1.1±0.1 g/cm3
Boiling Point: 244.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 101.8±10.6 °C
Index of Refraction: 1.467
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.83
ACD/KOC (pH 5.5): 216.27
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.83
ACD/KOC (pH 7.4): 216.27
Polar Surface Area: 69 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 175.9±3.0 cm3

Click to predict properties on the Chemicalize site


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