ChemSpider 2D Image | 2-(3-Thienyl)ethenone | C6H4OS

2-(3-Thienyl)ethenone

  • Molecular FormulaC6H4OS
  • Average mass124.160 Da
  • Monoisotopic mass123.998283 Da
  • ChemSpider ID61297853

More details:

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

2-(3-Thienyl)ethenon [German] [ACD/IUPAC Name]
2-(3-Thienyl)ethenone [ACD/IUPAC Name]
2-(3-Thiényl)éthénone [French] [ACD/IUPAC Name]
Ethenone, 2-(3-thienyl)- [ACD/Index Name]
1032913-32-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 168.2±9.0 °C at 760 mmHg
Vapour Pressure: 1.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.5±3.0 kJ/mol
Flash Point: 55.5±18.7 °C
Index of Refraction: 1.597
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.31
ACD/KOC (pH 5.5): 278.91
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.31
ACD/KOC (pH 7.4): 278.91
Polar Surface Area: 45 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 23.9±3.0 dyne/cm
Molar Volume: 105.7±3.0 cm3

Click to predict properties on the Chemicalize site


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