ChemSpider 2D Image | (1S,4R)-(2-~2~H)Bicyclo[2.2.2]octa-2,5-diene | C8H9D

(1S,4R)-(2-2H)Bicyclo[2.2.2]octa-2,5-diene

  • Molecular FormulaC8H9D
  • Average mass107.171 Da
  • Monoisotopic mass107.084526 Da
  • ChemSpider ID75554309

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,4R)-(2-2H)Bicyclo[2.2.2]octa-2,5-dien [German] [ACD/IUPAC Name]
(1S,4R)-(2-2H)Bicyclo[2.2.2]octa-2,5-diene [ACD/IUPAC Name]
(1S,4R)-(2-2H)Bicyclo[2.2.2]octa-2,5-diène [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octa-2,5-diene-2-d, (1S,4R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 142.4±15.0 °C at 760 mmHg
Vapour Pressure: 7.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 36.4±0.8 kJ/mol
Flash Point: 18.0±15.7 °C
Index of Refraction: 1.536
Molar Refractivity: 34.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.99
ACD/KOC (pH 5.5): 452.43
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.99
ACD/KOC (pH 7.4): 452.43
Polar Surface Area: 0 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 109.5±3.0 cm3

Click to predict properties on the Chemicalize site


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