ChemSpider 2D Image | Methyl 3-(isopropylsulfanyl)-2,2-dimethylpropanoate | C9H18O2S

Methyl 3-(isopropylsulfanyl)-2,2-dimethylpropanoate

  • Molecular FormulaC9H18O2S
  • Average mass190.303 Da
  • Monoisotopic mass190.102753 Da
  • ChemSpider ID32038390

More details:

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

1540259-00-4 [RN]
3-(Isopropylsulfanyl)-2,2-diméthylpropanoate de méthyle [French] [ACD/IUPAC Name]
methyl 2,2-dimethyl-3-(propan-2-ylsulfanyl)propanoate
Methyl 3-(isopropylsulfanyl)-2,2-dimethylpropanoate [ACD/IUPAC Name]
Methyl-3-(isopropylsulfanyl)pivalat [German] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-3-[(1-methylethyl)thio]-, methyl ester [ACD/Index Name]
MFCD23731792

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

Density: 1.0±0.1 g/cm3
Boiling Point: 241.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 96.1±10.6 °C
Index of Refraction: 1.460
Molar Refractivity: 53.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.40
ACD/KOC (pH 5.5): 846.75
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.40
ACD/KOC (pH 7.4): 846.75
Polar Surface Area: 52 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 195.0±3.0 cm3

Click to predict properties on the Chemicalize site


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