ChemSpider 2D Image | Methyl (9Z,12E)-9-hydroperoxy-9,12-octadecadienoate | C19H34O4

Methyl (9Z,12E)-9-hydroperoxy-9,12-octadecadienoate

  • Molecular FormulaC19H34O4
  • Average mass326.471 Da
  • Monoisotopic mass326.245697 Da
  • ChemSpider ID21781950

  • Double-bond stereo - Double-bond stereo

More details:

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

9,12-Octadecadienoic acid, hydroperoxy-, methyl ester, (Z,Z)
(9Z,12E)-9-Hydroperoxy-9,12-octadécadiénoate de méthyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 9-hydroperoxy-, methyl ester, (9Z,12E)- [ACD/Index Name]
Methyl (9Z,12E)-9-hydroperoxy-9,12-octadecadienoate [ACD/IUPAC Name]
Methyl-(9Z,12E)-9-hydroperoxy-9,12-octadecadienoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 446.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 146.3±22.2 °C
Index of Refraction: 1.477
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 54370.10
ACD/KOC (pH 5.5): 85339.95
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54361.93
ACD/KOC (pH 7.4): 85327.11
Polar Surface Area: 56 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 336.5±3.0 cm3

Click to predict properties on the Chemicalize site


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