ChemSpider 2D Image | 13-EPI-12-OXO PDA | C18H28O3

13-EPI-12-OXO PDA

  • Molecular FormulaC18H28O3
  • Average mass292.413 Da
  • Monoisotopic mass292.203857 Da
  • ChemSpider ID29341844

  • 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

13-EPI-12-OXO PDA
13-epi-12-oxo Phytodienoic Acid
2-Cyclopentene-1-octanoic acid, 4-oxo-5-[(2Z)-2-penten-1-yl]-, (1S,5R)- [ACD/Index Name]
71606-07-0 [RN]
8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid [ACD/IUPAC Name]
8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octansäure [German] [ACD/IUPAC Name]
9s,13r-12-Oxophytodienoic Acid
Acide 8-{(1S,5R)-4-oxo-5-[(2Z)-2-pentén-1-yl]-2-cyclopentén-1-yl}octanoïque [French] [ACD/IUPAC Name]
[71606-07-0] [RN]
120199-83-9 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 447.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 238.7±19.4 °C
Index of Refraction: 1.495
Molar Refractivity: 84.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 121.26
ACD/KOC (pH 5.5): 640.25
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 10.27
Polar Surface Area: 54 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

Click to predict properties on the Chemicalize site


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