ChemSpider 2D Image | (9Z,11E,13S)-13-Hydroxy-9,11-octadecadienoic acid | C18H32O3

(9Z,11E,13S)-13-Hydroxy-9,11-octadecadienoic acid

  • Molecular FormulaC18H32O3
  • Average mass296.445 Da
  • Monoisotopic mass296.235138 Da
  • ChemSpider ID67162326

  • 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

(9Z,11E,13S)-13-Hydroxy-9,11-octadecadienoic acid [ACD/IUPAC Name]
(9Z,11E,13S)-13-Hydroxy-9,11-octadecadiensäure [German] [ACD/IUPAC Name]
9,11-Octadecadienoic acid, 13-hydroxy-, (9Z,11E,13S)- [ACD/Index Name]
Acide (9Z,11E,13S)-13-hydroxy-9,11-octadécadiénoïque [French] [ACD/IUPAC Name]
13(s)-hydroxy-(z,e)-9,11-octadecadienoic 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: 422.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 223.6±18.3 °C
Index of Refraction: 1.492
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 923.84
ACD/KOC (pH 5.5): 2737.92
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 14.81
ACD/KOC (pH 7.4): 43.90
Polar Surface Area: 58 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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