ChemSpider 2D Image | (1E)-1-(Ethylsulfanyl)-1,3-butadiene | C6H10S

(1E)-1-(Ethylsulfanyl)-1,3-butadiene

  • Molecular FormulaC6H10S
  • Average mass114.209 Da
  • Monoisotopic mass114.050323 Da
  • ChemSpider ID115296171

More details:

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

(1E)-1-(Ethylsulfanyl)-1,3-butadien [German] [ACD/IUPAC Name]
(1E)-1-(Ethylsulfanyl)-1,3-butadiene [ACD/IUPAC Name]
(1E)-1-(Éthylsulfanyl)-1,3-butadiène [French] [ACD/IUPAC Name]
1,3-Butadiene, 1-(ethylthio)-, (1E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 163.6±9.0 °C at 760 mmHg
Vapour Pressure: 2.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.4±3.0 kJ/mol
Flash Point: 46.1±15.4 °C
Index of Refraction: 1.490
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.19
ACD/KOC (pH 5.5): 852.29
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.19
ACD/KOC (pH 7.4): 852.29
Polar Surface Area: 25 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 27.3±3.0 dyne/cm
Molar Volume: 130.3±3.0 cm3

Click to predict properties on the Chemicalize site


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