ChemSpider 2D Image | S-Butyl 2,2-dimethylpropanethioate | C9H18OS

S-Butyl 2,2-dimethylpropanethioate

  • Molecular FormulaC9H18OS
  • Average mass174.304 Da
  • Monoisotopic mass174.107834 Da
  • ChemSpider ID57518987

More details:

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

2,2-Diméthylpropanethioate de S-butyle [French] [ACD/IUPAC Name]
Propanethioic acid, 2,2-dimethyl-, S-butyl ester [ACD/Index Name]
S-Butyl 2,2-dimethylpropanethioate [ACD/IUPAC Name]
S-Butyl-2,2-dimethylpropanthioat [German] [ACD/IUPAC Name]
1-(BUTYLSULFANYL)-2,2-DIMETHYLPROPAN-1-ONE
68167-21-5 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 217.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.4±3.0 kJ/mol
Flash Point: 73.9±12.3 °C
Index of Refraction: 1.462
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.52
ACD/KOC (pH 5.5): 1798.66
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.52
ACD/KOC (pH 7.4): 1798.66
Polar Surface Area: 42 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 30.1±3.0 dyne/cm
Molar Volume: 188.2±3.0 cm3

Click to predict properties on the Chemicalize site


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