ChemSpider 2D Image | Ethyl 4-(ethylsulfanyl)-3-oxobutanoate | C8H14O3S

Ethyl 4-(ethylsulfanyl)-3-oxobutanoate

  • Molecular FormulaC8H14O3S
  • Average mass190.260 Da
  • Monoisotopic mass190.066360 Da
  • ChemSpider ID28542566

More details:

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

4-(Éthylsulfanyl)-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(ethylthio)-3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(ethylsulfanyl)-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-(ethylsulfanyl)-3-oxobutanoat [German] [ACD/IUPAC Name]
25907-36-2 [RN]
MFCD19596751

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

Density: 1.1±0.1 g/cm3
Boiling Point: 250.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 105.7±9.8 °C
Index of Refraction: 1.470
Molar Refractivity: 48.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.46
ACD/KOC (pH 5.5): 173.79
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.43
ACD/KOC (pH 7.4): 173.35
Polar Surface Area: 69 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 175.2±3.0 cm3

Click to predict properties on the Chemicalize site


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