ChemSpider 2D Image | Methyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]propanoate | C10H18O3S

Methyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]propanoate

  • Molecular FormulaC10H18O3S
  • Average mass218.313 Da
  • Monoisotopic mass218.097672 Da
  • ChemSpider ID31413808

More details:

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

2-[(3,3-Diméthyl-2-oxobutyl)sulfanyl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]propanoate [ACD/IUPAC Name]
Methyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[(3,3-dimethyl-2-oxobutyl)thio]-, methyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 272.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 113.3±11.2 °C
Index of Refraction: 1.469
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.53
ACD/KOC (pH 5.5): 483.79
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.53
ACD/KOC (pH 7.4): 483.79
Polar Surface Area: 69 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 208.6±3.0 cm3

Click to predict properties on the Chemicalize site


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