ChemSpider 2D Image | 1-[(3E)-4-(4-Chlorophenyl)-3-buten-1-yn-1-yl]-3,5-diethynylbenzene | C20H11Cl

1-[(3E)-4-(4-Chlorophenyl)-3-buten-1-yn-1-yl]-3,5-diethynylbenzene

  • Molecular FormulaC20H11Cl
  • Average mass286.754 Da
  • Monoisotopic mass286.054932 Da
  • ChemSpider ID87883796

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(3E)-4-(4-Chlorophenyl)-3-buten-1-yn-1-yl]-3,5-diethynylbenzene [ACD/IUPAC Name]
1-[(3E)-4-(4-Chlorophényl)-3-butén-1-yn-1-yl]-3,5-diéthynylbenzène [French] [ACD/IUPAC Name]
1-[(3E)-4-(4-Chlorphenyl)-3-buten-1-in-1-yl]-3,5-diethinylbenzol [German] [ACD/IUPAC Name]
Benzene, 1-[(3E)-4-(4-chlorophenyl)-3-buten-1-yn-1-yl]-3,5-diethynyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 462.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 227.6±24.1 °C
Index of Refraction: 1.651
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14431.16
ACD/KOC (pH 5.5): 33022.92
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14431.16
ACD/KOC (pH 7.4): 33022.92
Polar Surface Area: 0 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 237.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement