ChemSpider 2D Image | (5E,8E,10E)-12-Oxo-5,8,10-heptadecatrienoic acid | C17H26O3

(5E,8E,10E)-12-Oxo-5,8,10-heptadecatrienoic acid

  • Molecular FormulaC17H26O3
  • Average mass278.387 Da
  • Monoisotopic mass278.188202 Da
  • ChemSpider ID107562369

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,8E,10E)-12-Oxo-5,8,10-heptadecatrienoic acid [ACD/IUPAC Name]
(5E,8E,10E)-12-Oxo-5,8,10-heptadecatriensäure [German] [ACD/IUPAC Name]
5,8,10-Heptadecatrienoic acid, 12-oxo-, (5E,8E,10E)- [ACD/Index Name]
Acide (5E,8E,10E)-12-oxo-5,8,10-heptadécatriénoïque [French] [ACD/IUPAC Name]
12-keto-5,8,10-heptadecatrienoic 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: 460.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 246.2±23.8 °C
Index of Refraction: 1.498
Molar Refractivity: 82.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 239.09
ACD/KOC (pH 5.5): 1023.95
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 16.33
Polar Surface Area: 54 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site


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