ChemSpider 2D Image | (1R,2S,5R,6S)-Tricyclo[4.2.0.0~2,5~]octa-3,7-diene | C8H8

(1R,2S,5R,6S)-Tricyclo[4.2.0.02,5]octa-3,7-diene

  • Molecular FormulaC8H8
  • Average mass104.149 Da
  • Monoisotopic mass104.062599 Da
  • ChemSpider ID75550722

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,5R,6S)-Tricyclo[4.2.0.02,5]octa-3,7-dien [German] [ACD/IUPAC Name]
(1R,2S,5R,6S)-Tricyclo[4.2.0.02,5]octa-3,7-diene [ACD/IUPAC Name]
(1R,2S,5R,6S)-Tricyclo[4.2.0.02,5]octa-3,7-diène [French] [ACD/IUPAC Name]
Tricyclo[4.2.0.02,5]octa-3,7-diene, (1R,2S,5R,6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 150.5±40.0 °C at 760 mmHg
Vapour Pressure: 4.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 37.1±0.8 kJ/mol
Flash Point: 22.8±22.6 °C
Index of Refraction: 1.630
Molar Refractivity: 32.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.80
ACD/KOC (pH 5.5): 477.39
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.80
ACD/KOC (pH 7.4): 477.39
Polar Surface Area: 0 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 90.6±3.0 cm3

Click to predict properties on the Chemicalize site


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