ChemSpider 2D Image | S-Isopropyl 2,2-dimethylpropanethioate | C8H16OS

S-Isopropyl 2,2-dimethylpropanethioate

  • Molecular FormulaC8H16OS
  • Average mass160.277 Da
  • Monoisotopic mass160.092178 Da
  • ChemSpider ID35771537

More details:

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

2,2-Diméthylpropanethioate de S-isopropyle [French] [ACD/IUPAC Name]
Propanethioic acid, 2,2-dimethyl-, S-(1-methylethyl) ester [ACD/Index Name]
S-Isopropyl 2,2-dimethylpropanethioate [ACD/IUPAC Name]
S-Isopropyl-2,2-dimethylpropanthioat [German] [ACD/IUPAC Name]
60718-20-9 [RN]
S-Propan-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: 190.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 59.2±12.3 °C
Index of Refraction: 1.459
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.34
ACD/KOC (pH 5.5): 995.68
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.34
ACD/KOC (pH 7.4): 995.68
Polar Surface Area: 42 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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