ChemSpider 2D Image | 5-[(3E)-6,6-Dicyano-2,5,5-trimethyl-3-hexen-2-yl]-1,2,4-benzenetricarbonitrile | C20H17N5

5-[(3E)-6,6-Dicyano-2,5,5-trimethyl-3-hexen-2-yl]-1,2,4-benzenetricarbonitrile

  • Molecular FormulaC20H17N5
  • Average mass327.383 Da
  • Monoisotopic mass327.148407 Da
  • ChemSpider ID30658788

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,4-Benzenetricarbonitrile, 5-[(2E)-5,5-dicyano-1,1,4,4-tetramethyl-2-penten-1-yl]- [ACD/Index Name]
5-[(3E)-6,6-Dicyan-2,5,5-trimethyl-3-hexen-2-yl]-1,2,4-benzoltricarbonitril [German] [ACD/IUPAC Name]
5-[(3E)-6,6-Dicyano-2,5,5-trimethyl-3-hexen-2-yl]-1,2,4-benzenetricarbonitrile [ACD/IUPAC Name]
5-[(3E)-6,6-Dicyano-2,5,5-triméthyl-3-hexén-2-yl]-1,2,4-benzènetricarbonitrile [French] [ACD/IUPAC 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: 611.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 295.8±25.4 °C
Index of Refraction: 1.562
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.59
ACD/KOC (pH 5.5): 1514.13
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.59
ACD/KOC (pH 7.4): 1514.13
Polar Surface Area: 119 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 281.0±5.0 cm3

Click to predict properties on the Chemicalize site


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