ChemSpider 2D Image | 2,2'-[(3E)-3-Hexene-1,5-diyne-1,6-diyl]dibenzonitrile | C20H10N2

2,2'-[(3E)-3-Hexene-1,5-diyne-1,6-diyl]dibenzonitrile

  • Molecular FormulaC20H10N2
  • Average mass278.307 Da
  • Monoisotopic mass278.084412 Da
  • ChemSpider ID28561191

  • Double-bond stereo - Double-bond stereo

More details:

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

2,2'-[(3E)-3-Hexen-1,5-diin-1,6-diyl]dibenzonitril [German] [ACD/IUPAC Name]
2,2'-[(3E)-3-Hexene-1,5-diyne-1,6-diyl]dibenzonitrile [ACD/IUPAC Name]
2,2'-[(3E)-3-Hexène-1,5-diyne-1,6-diyl]dibenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,2'-[(3E)-3-hexene-1,5-diyne-1,6-diyl]bis- [ACD/Index Name]
823227-02-7 [RN]
BENZONITRILE, 2,2'-(3-HEXENE-1,5-DIYNE-1,6-DIYL)BIS- [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: 491.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 237.0±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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