ChemSpider 2D Image | Pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile | C21H13N

Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile

  • Molecular FormulaC21H13N
  • Average mass279.335 Da
  • Monoisotopic mass279.104797 Da
  • ChemSpider ID58800449

More details:

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

Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-4-carbonitril [German] [ACD/IUPAC Name]
Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbonitrile [ACD/IUPAC Name]
Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaène-4-carbonitrile [French] [ACD/IUPAC Name]
MFCD30534520
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15(20),16,18-nonaene-4-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 207.5±18.2 °C
Index of Refraction: 1.731
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2209.15
ACD/KOC (pH 5.5): 8617.71
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2209.15
ACD/KOC (pH 7.4): 8617.71
Polar Surface Area: 24 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 214.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement