ChemSpider 2D Image | (E)-2-epi-beta-caryophyllene | C15H24

(E)-2-epi-β-caryophyllene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID28540462
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,4Z,9R)-4,11,11-Trimethyl-8-methylenbicyclo[7.2.0]undec-4-en [German] [ACD/IUPAC Name]
(1R,4Z,9R)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene [ACD/IUPAC Name]
(1R,4Z,9R)-4,11,11-Triméthyl-8-méthylènebicyclo[7.2.0]undéc-4-ène [French] [ACD/IUPAC Name]
(E)-2-epi-β-caryophyllene
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9R)- [ACD/Index Name]
(-)-Isocaryophyllene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 268.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 48.6±0.8 kJ/mol
Flash Point: 104.9±13.8 °C
Index of Refraction: 1.495
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48384.44
ACD/KOC (pH 5.5): 78504.51
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48384.44
ACD/KOC (pH 7.4): 78504.51
Polar Surface Area: 0 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 29.7±5.0 dyne/cm
Molar Volume: 228.5±5.0 cm3

Click to predict properties on the Chemicalize site






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