ChemSpider 2D Image | S-(2-Methyl-2-butanyl) 2,2-dimethylpropanethioate | C10H20OS

S-(2-Methyl-2-butanyl) 2,2-dimethylpropanethioate

  • Molecular FormulaC10H20OS
  • Average mass188.330 Da
  • Monoisotopic mass188.123489 Da
  • ChemSpider ID35781618

More details:

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

2,2-Diméthylpropanethioate de S-(2-méthyl-2-butanyle) [French] [ACD/IUPAC Name]
Propanethioic acid, 2,2-dimethyl-, S-(1,1-dimethylpropyl) ester [ACD/Index Name]
S-(2-Methyl-2-butanyl) 2,2-dimethylpropanethioate [ACD/IUPAC Name]
S-(2-Methyl-2-butanyl)-2,2-dimethylpropanthioat [German] [ACD/IUPAC Name]
63528-33-6 [RN]
S-(2-Methylbutan-2-yl) 2,2-dimethylpropanethioate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 226.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 76.9±12.3 °C
Index of Refraction: 1.462
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.64
ACD/KOC (pH 5.5): 2203.30
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.64
ACD/KOC (pH 7.4): 2203.30
Polar Surface Area: 42 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 204.8±3.0 cm3

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