ChemSpider 2D Image | 1-Ethynyl-4-[(3E)-4-(4-fluorophenyl)-3-buten-1-yn-1-yl]benzene | C18H11F

1-Ethynyl-4-[(3E)-4-(4-fluorophenyl)-3-buten-1-yn-1-yl]benzene

  • Molecular FormulaC18H11F
  • Average mass246.278 Da
  • Monoisotopic mass246.084473 Da
  • ChemSpider ID90037127

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Ethinyl-4-[(3E)-4-(4-fluorphenyl)-3-buten-1-in-1-yl]benzol [German] [ACD/IUPAC Name]
1-Ethynyl-4-[(3E)-4-(4-fluorophenyl)-3-buten-1-yn-1-yl]benzene [ACD/IUPAC Name]
1-Éthynyl-4-[(3E)-4-(4-fluorophényl)-3-butén-1-yn-1-yl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-ethynyl-4-[(3E)-4-(4-fluorophenyl)-3-buten-1-yn-1-yl]- [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: 362.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 187.8±21.0 °C
Index of Refraction: 1.618
Molar Refractivity: 75.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 4004.90
ACD/KOC (pH 5.5): 13192.54
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 4004.90
ACD/KOC (pH 7.4): 13192.54
Polar Surface Area: 0 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 214.4±5.0 cm3

Click to predict properties on the Chemicalize site


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