ChemSpider 2D Image | 5-oxo-ODE | C18H30O3

5-oxo-ODE

  • Molecular FormulaC18H30O3
  • Average mass294.429 Da
  • Monoisotopic mass294.219482 Da
  • ChemSpider ID31047058
  • Double-bond stereo - Double-bond stereo


More details:






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

(6E,8Z)-5-Oxo-6,8-octadecadienoic Acid [ACD/IUPAC Name]
(6E,8Z)-5-Oxo-6,8-octadecadiensäure [German] [ACD/IUPAC Name]
5-oxo-ODE
6,8-Octadecadienoic acid, 5-oxo-, (6E,8Z)- [ACD/Index Name]
Acide (6E,8Z)-5-oxo-6,8-octadécadiénoïque [French] [ACD/IUPAC Name]
(6E,8Z)-5-oxooctadeca-6,8-dienoic acid
(6E,8Z)-5-oxooctadecadienoic acid
1021188-25-9 [RN]
5-oxo-(6E,8Z)-octadecadienoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 453.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 242.0±20.5 °C
Index of Refraction: 1.484
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 769.77
ACD/KOC (pH 5.5): 2168.50
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 12.10
ACD/KOC (pH 7.4): 34.08
Polar Surface Area: 54 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 304.6±3.0 cm3

Click to predict properties on the Chemicalize site






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