ChemSpider 2D Image | 1-(1-Butyn-1-yl)-2-ethynyl-3-fluorobenzene | C12H9F

1-(1-Butyn-1-yl)-2-ethynyl-3-fluorobenzene

  • Molecular FormulaC12H9F
  • Average mass172.198 Da
  • Monoisotopic mass172.068832 Da
  • ChemSpider ID83868337

More details:

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

1-(1-Butin-1-yl)-2-ethinyl-3-fluorbenzol [German] [ACD/IUPAC Name]
1-(1-Butyn-1-yl)-2-ethynyl-3-fluorobenzene [ACD/IUPAC Name]
1-(1-Butyn-1-yl)-2-éthynyl-3-fluorobenzène [French] [ACD/IUPAC Name]
Benzene, 1-(1-butyn-1-yl)-2-ethynyl-3-fluoro- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 255.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 102.6±19.1 °C
Index of Refraction: 1.538
Molar Refractivity: 50.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 345.65
ACD/KOC (pH 5.5): 2284.36
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.65
ACD/KOC (pH 7.4): 2284.36
Polar Surface Area: 0 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 161.2±5.0 cm3

Click to predict properties on the Chemicalize site


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