ChemSpider 2D Image | (6Z,9Z,13S)-13-Hydroxy-6,9,11-octadecatrienoic acid | C18H30O3

(6Z,9Z,13S)-13-Hydroxy-6,9,11-octadecatrienoic acid

  • Molecular FormulaC18H30O3
  • Average mass294.429 Da
  • Monoisotopic mass294.219482 Da
  • ChemSpider ID68057629

  • 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

(6Z,9Z,13S)-13-Hydroxy-6,9,11-octadecatrienoic acid [ACD/IUPAC Name]
(6Z,9Z,13S)-13-Hydroxy-6,9,11-octadecatriensäure [German] [ACD/IUPAC Name]
6,9,11-Octadecatrienoic acid, 13-hydroxy-, (6Z,9Z,13S)- [ACD/Index Name]
Acide (6Z,9Z,13S)-13-hydroxy-6,9,11-octadécatriénoïque [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 436.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 231.9±21.9 °C
Index of Refraction: 1.505
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 455.66
ACD/KOC (pH 5.5): 1618.90
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 7.26
ACD/KOC (pH 7.4): 25.79
Polar Surface Area: 58 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


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