ChemSpider 2D Image | (10E,12E,14E,16S)-16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid | C18H28O4

(10E,12E,14E,16S)-16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid

  • Molecular FormulaC18H28O4
  • Average mass308.413 Da
  • Monoisotopic mass308.198761 Da
  • ChemSpider ID19055004
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(10E,12E,14E,16S)-16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid [ACD/IUPAC Name]
(10E,12E,14E,16S)-16-Hydroxy-9-oxo-10,12,14-octadecatriensäure [German] [ACD/IUPAC Name]
10,12,14-Octadecatrienoic acid, 16-hydroxy-9-oxo-, (10E,12E,14E,16S)- [ACD/Index Name]
Acide (10E,12E,14E,16S)-16-hydroxy-9-oxo-10,12,14-octadécatriénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 505.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 273.4±23.8 °C
Index of Refraction: 1.511
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 17.42
ACD/KOC (pH 5.5): 159.24
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 75 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 296.1±3.0 cm3

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