ChemSpider 2D Image | Pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]oct-1-ene | C8H6

Pentacyclo[4.2.0.02,5.03,8.04,7]oct-1-ene

  • Molecular FormulaC8H6
  • Average mass102.133 Da
  • Monoisotopic mass102.046951 Da
  • ChemSpider ID29319862

More details:






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

Pentacyclo[4.2.0.02,5.03,8.04,7]oct-1-en [German] [ACD/IUPAC Name]
Pentacyclo[4.2.0.02,5.03,8.04,7]oct-1-ene [ACD/Index Name] [ACD/IUPAC Name]
Pentacyclo[4.2.0.02,5.03,8.04,7]oct-1-ène [French] [ACD/IUPAC Name]
cubene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 171.0±7.0 °C at 760 mmHg
Vapour Pressure: 1.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 39.1±0.8 kJ/mol
Flash Point: 22.7±13.0 °C
Index of Refraction: 1.844
Molar Refractivity: 28.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.45
ACD/KOC (pH 5.5): 332.94
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.45
ACD/KOC (pH 7.4): 332.94
Polar Surface Area: 0 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 63.4±5.0 cm3

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