ChemSpider 2D Image | 2-[(3E)-6-(4-Cyanophenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile | C20H10N2

2-[(3E)-6-(4-Cyanophenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile

  • Molecular FormulaC20H10N2
  • Average mass278.307 Da
  • Monoisotopic mass278.084412 Da
  • ChemSpider ID28560932

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E)-6-(4-Cyanophenyl)-3-hexene-1,5-diyn-1-yl]benzonitrile [ACD/IUPAC Name]
2-[(3E)-6-(4-Cyanophényl)-3-hexène-1,5-diyn-1-yl]benzonitrile [French] [ACD/IUPAC Name]
2-[(3E)-6-(4-Cyanphenyl)-3-hexen-1,5-diin-1-yl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 2-[(3E)-6-(4-cyanophenyl)-3-hexene-1,5-diyn-1-yl]- [ACD/Index Name]
823227-04-9 [RN]
BENZONITRILE, 2-[6-(4-CYANOPHENYL)-3-HEXENE-1,5-DIYNYL]-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 480.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 230.0±22.6 °C
Index of Refraction: 1.663
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3000.42
ACD/KOC (pH 5.5): 10729.05
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3000.42
ACD/KOC (pH 7.4): 10729.05
Polar Surface Area: 48 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 227.6±5.0 cm3

Click to predict properties on the Chemicalize site


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