ChemSpider 2D Image | (9Z,12E)-13-Hydroperoxy-9,12-octadecadienoic acid | C18H32O4

(9Z,12E)-13-Hydroperoxy-9,12-octadecadienoic acid

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID21865700

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12E)-13-Hydroperoxy-9,12-octadecadienoic acid [ACD/IUPAC Name]
(9Z,12E)-13-Hydroperoxy-9,12-octadecadiensäure [German] [ACD/IUPAC Name]
34444-18-3 [RN]
9,12-Octadecadienoic acid, 13-hydroperoxy-, (?,Z)-
9,12-Octadecadienoic acid, 13-hydroperoxy-, (9Z,12E)- [ACD/Index Name]
Acide (9Z,12E)-13-hydroperoxy-9,12-octadécadiénoïque [French] [ACD/IUPAC Name]
(9Z)-13-hydroperoxyoctadeca-9,12-dienoic acid
(9Z,12E)-13-Hydroperoxyoctadeca-9,12-dienoic acid
13-Hpla
13-hydroperoxylinoleic 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: 455.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±6.0 kJ/mol
Flash Point: 153.3±20.0 °C
Index of Refraction: 1.492
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 3884.76
ACD/KOC (pH 5.5): 7656.13
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 62.28
ACD/KOC (pH 7.4): 122.74
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

Click to predict properties on the Chemicalize site


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