ChemSpider 2D Image | O-Butyl S-[(ethylsulfanyl)ethynyl] carbonodithioate | C9H14OS3

O-Butyl S-[(ethylsulfanyl)ethynyl] carbonodithioate

  • Molecular FormulaC9H14OS3
  • Average mass234.402 Da
  • Monoisotopic mass234.020676 Da
  • ChemSpider ID74021166

More details:

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

Carbonodithioate de O-butyle et de S-[(éthylsulfanyl)éthynyle] [French] [ACD/IUPAC Name]
Carbonodithioic acid, O-butyl S-[2-(ethylthio)ethynyl] ester [ACD/Index Name]
O-Butyl S-[(ethylsulfanyl)ethynyl] carbonodithioate [ACD/IUPAC Name]
O-Butyl-S-[(ethylsulfanyl)ethinyl]carbonodithioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 309.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 141.1±23.2 °C
Index of Refraction: 1.583
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2031.69
ACD/KOC (pH 5.5): 8116.34
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2031.69
ACD/KOC (pH 7.4): 8116.34
Polar Surface Area: 92 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 199.7±3.0 cm3

Click to predict properties on the Chemicalize site


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