ChemSpider 2D Image | (10Z,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid | C18H32O4

(10Z,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID21467293

  • Double-bond stereo - Double-bond stereo

More details:

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

(10Z,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid [ACD/IUPAC Name]
(10Z,12Z)-9-Hydroperoxy-10,12-octadecadiensäure [German] [ACD/IUPAC Name]
10,12-Octadecadienoic acid, 9-hydroperoxy-, (10Z,12Z)- [ACD/Index Name]
Acide (10Z,12Z)-9-hydroperoxy-10,12-octadécadiénoïque [French] [ACD/IUPAC Name]
29774-12-7 [RN]
9(S)-HPODE
9S-hydroperoxy-10E,12Z-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: 447.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.5±6.0 kJ/mol
Flash Point: 150.1±20.3 °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): 4.91
ACD/BCF (pH 5.5): 2048.01
ACD/KOC (pH 5.5): 4839.77
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 32.83
ACD/KOC (pH 7.4): 77.58
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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