ChemSpider 2D Image | (9E,11E,13S,15E)-13-Hydroperoxy-9,11,15-octadecatrienoic acid | C18H30O4

(9E,11E,13S,15E)-13-Hydroperoxy-9,11,15-octadecatrienoic acid

  • Molecular FormulaC18H30O4
  • Average mass310.428 Da
  • Monoisotopic mass310.214417 Da
  • ChemSpider ID31044497

  • 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

(9E,11E,13S,15E)-13-Hydroperoxy-9,11,15-octadecatrienoic acid [ACD/IUPAC Name]
(9E,11E,13S,15E)-13-Hydroperoxy-9,11,15-octadecatriensäure [German] [ACD/IUPAC Name]
9,11,15-Octadecatrienoic acid, 13-hydroperoxy-, (9E,11E,13S,15E)- [ACD/Index Name]
Acide (9E,11E,13S,15E)-13-hydroperoxy-9,11,15-octadécatriénoïque [French] [ACD/IUPAC Name]
13(S)-HYDROPEROXY-(9Z,11E,15Z)-OCTADECATRIENOIC ACID
67597-26-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 454.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 154.0±20.8 °C
Index of Refraction: 1.504
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 713.45
ACD/KOC (pH 5.5): 2275.43
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 11.44
ACD/KOC (pH 7.4): 36.47
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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