ChemSpider 2D Image | (1E)-1-(2-Thienyl)-1-penten-4-yn-3-one | C9H6OS

(1E)-1-(2-Thienyl)-1-penten-4-yn-3-one

  • Molecular FormulaC9H6OS
  • Average mass162.208 Da
  • Monoisotopic mass162.013931 Da
  • ChemSpider ID61225619

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1-(2-Thienyl)-1-penten-4-in-3-on [German] [ACD/IUPAC Name]
(1E)-1-(2-Thienyl)-1-penten-4-yn-3-one [ACD/IUPAC Name]
(1E)-1-(2-Thiényl)-1-pentén-4-yn-3-one [French] [ACD/IUPAC Name]
1-Penten-4-yn-3-one, 1-(2-thienyl)-, (1E)- [ACD/Index Name]
855473-75-5 [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: 279.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 122.9±27.9 °C
Index of Refraction: 1.631
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.50
ACD/KOC (pH 5.5): 302.39
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.50
ACD/KOC (pH 7.4): 302.39
Polar Surface Area: 45 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site


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