ChemSpider 2D Image | 3-[(1Z)-1-Buten-3-yn-1-yl]thiophene | C8H6S

3-[(1Z)-1-Buten-3-yn-1-yl]thiophene

  • Molecular FormulaC8H6S
  • Average mass134.198 Da
  • Monoisotopic mass134.019012 Da
  • ChemSpider ID57447892

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(1Z)-1-Buten-3-in-1-yl]thiophen [German] [ACD/IUPAC Name]
3-[(1Z)-1-Buten-3-yn-1-yl]thiophene [ACD/IUPAC Name]
3-[(1Z)-1-Butén-3-yn-1-yl]thiophène [French] [ACD/IUPAC Name]
Thiophene, 3-[(1Z)-1-buten-3-yn-1-yl]- [ACD/Index Name]
THIOPHENE, 3-(1-BUTEN-3-YNYL)-, (Z)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 204.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.3±3.0 kJ/mol
Flash Point: 54.1±8.8 °C
Index of Refraction: 1.634
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.87
ACD/KOC (pH 5.5): 712.41
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.87
ACD/KOC (pH 7.4): 712.41
Polar Surface Area: 28 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 120.2±3.0 cm3

Click to predict properties on the Chemicalize site


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