ChemSpider 2D Image | O-Allyl ethanethioate | C5H8OS

O-Allyl ethanethioate

  • Molecular FormulaC5H8OS
  • Average mass116.181 Da
  • Monoisotopic mass116.029587 Da
  • ChemSpider ID24541222

More details:






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

Éthanethioate de O-allyle [French] [ACD/IUPAC Name]
Ethanethioic acid, O-2-propen-1-yl ester [ACD/Index Name]
O-Allyl ethanethioate [ACD/IUPAC Name]
O-Allyl-ethanthioat [German] [ACD/IUPAC Name]
1225348-86-6 [RN]
23973-51-5 [RN]
Allyl thioacetate
MFCD16038466
PROP-2-EN-1-YL ETHANETHIOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 123.7±33.0 °C at 760 mmHg
Vapour Pressure: 15.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.7±3.0 kJ/mol
Flash Point: 28.6±25.4 °C
Index of Refraction: 1.490
Molar Refractivity: 34.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.10
ACD/KOC (pH 5.5): 182.17
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 182.17
Polar Surface Area: 41 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 117.5±3.0 cm3

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