ChemSpider 2D Image | Methyl 2,2-dimethyl-3-(propylsulfanyl)propanoate | C9H18O2S

Methyl 2,2-dimethyl-3-(propylsulfanyl)propanoate

  • Molecular FormulaC9H18O2S
  • Average mass190.303 Da
  • Monoisotopic mass190.102753 Da
  • ChemSpider ID32038389

More details:






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

2,2-Diméthyl-3-(propylsulfanyl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,2-dimethyl-3-(propylsulfanyl)propanoate [ACD/IUPAC Name]
Methyl-2,2-dimethyl-3-(propylsulfanyl)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-3-(propylthio)-, methyl ester [ACD/Index Name]
1502982-10-6 [RN]
MFCD23731761

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 246.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 100.0±10.6 °C
Index of Refraction: 1.462
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.63
ACD/KOC (pH 5.5): 930.95
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.63
ACD/KOC (pH 7.4): 930.95
Polar Surface Area: 52 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 194.6±3.0 cm3

Click to predict properties on the Chemicalize site






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