ChemSpider 2D Image | Calicene | C8H6

Calicene

  • Molecular FormulaC8H6
  • Average mass102.133 Da
  • Monoisotopic mass102.046951 Da
  • ChemSpider ID26537418

More details:






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

6249-23-6 [RN]
Calicene [Wiki]
1,3-Cyclopentadiene, 5-(2-cyclopropen-1-ylidene)- [ACD/Index Name]
5-(2-Cyclopropen-1-yliden)-1,3-cyclopentadien [German] [ACD/IUPAC Name]
5-(2-Cyclopropen-1-ylidene)-1,3-cyclopentadiene [ACD/IUPAC Name]
5-(2-Cyclopropén-1-ylidène)-1,3-cyclopentadiène [French] [ACD/IUPAC Name]
5-(Cycloprop-2-en-1-ylidene)cyclopenta-1,3-diene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 191.2±7.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 41.0±0.8 kJ/mol
Flash Point: 39.4±13.0 °C
Index of Refraction: 1.716
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.75
ACD/KOC (pH 5.5): 261.68
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.75
ACD/KOC (pH 7.4): 261.68
Polar Surface Area: 0 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 84.8±3.0 cm3

Click to predict properties on the Chemicalize site





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