ChemSpider 2D Image | (9Z,11E,13S)-13-Hydroperoxy-9,11-octadecadienoic acid | C18H32O4

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

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID67160762

  • 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-Hydroperoxy-9,11-octadecadienoic acid [ACD/IUPAC Name]
(9Z,11E,13S)-13-Hydroperoxy-9,11-octadecadiensäure [German] [ACD/IUPAC Name]
9,11-Octadecadienoic acid, 13-hydroperoxy-, (9Z,11E,13S)- [ACD/Index Name]
Acide (9Z,11E,13S)-13-hydroperoxy-9,11-octadécadiénoïque [French] [ACD/IUPAC Name]
(13S,9Z,11E)-13-Hydroperoxy-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: 449.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 151.0±17.5 °C
Index of Refraction: 1.491
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2152.29
ACD/KOC (pH 5.5): 5015.57
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 34.50
ACD/KOC (pH 7.4): 80.41
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 311.8±3.0 cm3

Click to predict properties on the Chemicalize site


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