ChemSpider 2D Image | 2-[(3E)-6-(4-Pyridinyl)-3-hexene-1,5-diyn-1-yl]benzonitrile | C18H10N2

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

  • Molecular FormulaC18H10N2
  • Average mass254.285 Da
  • Monoisotopic mass254.084396 Da
  • ChemSpider ID28561202

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(3E)-6-(4-Pyridinyl)-3-hexen-1,5-diin-1-yl]benzonitril [German] [ACD/IUPAC Name]
2-[(3E)-6-(4-Pyridinyl)-3-hexene-1,5-diyn-1-yl]benzonitrile [ACD/IUPAC Name]
2-[(3E)-6-(4-Pyridinyl)-3-hexène-1,5-diyn-1-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(3E)-6-(4-pyridinyl)-3-hexene-1,5-diyn-1-yl]- [ACD/Index Name]
823226-96-6 [RN]
BENZONITRILE, 2-[6-(4-PYRIDINYL)-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: 442.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 143.1±13.9 °C
Index of Refraction: 1.656
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1161.05
ACD/KOC (pH 5.5): 5361.64
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1219.31
ACD/KOC (pH 7.4): 5630.67
Polar Surface Area: 37 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 211.0±5.0 cm3

Click to predict properties on the Chemicalize site


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