ChemSpider 2D Image | 12-OxoETE | C20H30O3

12-OxoETE

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21467252

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8E,10Z,14Z)-12-Oxo-5,8,10,14-icosatetraenoic acid [ACD/IUPAC Name]
(5Z,8E,10Z,14Z)-12-Oxo-5,8,10,14-icosatetraensäure [German] [ACD/IUPAC Name]
108437-64-5 [RN]
12-OxoETE
5,8,10,14-Eicosatetraenoic acid, 12-oxo-, (5Z,8E,10Z,14Z)- [ACD/Index Name]
Acide (5Z,8E,10Z,14Z)-12-oxo-5,8,10,14-icosatétraénoïque [French] [ACD/IUPAC Name]
12-oxo-5Z,8Z,10E,14Z-eicosatetraenoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 494.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 267.2±25.2 °C
Index of Refraction: 1.506
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1401.67
ACD/KOC (pH 5.5): 3631.09
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 22.35
ACD/KOC (pH 7.4): 57.90
Polar Surface Area: 54 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 324.9±3.0 cm3

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