ChemSpider 2D Image | Methyl (10E)-9-hydroperoxy-12-oxo-10-octadecenoate | C19H34O5

Methyl (10E)-9-hydroperoxy-12-oxo-10-octadecenoate

  • Molecular FormulaC19H34O5
  • Average mass342.470 Da
  • Monoisotopic mass342.240631 Da
  • ChemSpider ID57517661

  • Double-bond stereo - Double-bond stereo

More details:

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

(10E)-9-Hydroperoxy-12-oxo-10-octadécénoate de méthyle [French] [ACD/IUPAC Name]
10-Octadecenoic acid, 9-hydroperoxy-12-oxo-, methyl ester, (10E)- [ACD/Index Name]
Methyl (10E)-9-hydroperoxy-12-oxo-10-octadecenoate [ACD/IUPAC Name]
Methyl-(10E)-9-hydroperoxy-12-oxo-10-octadecenoat [German] [ACD/IUPAC Name]
95502-85-5 [RN]
METHYL (10E)-9-HYDROPEROXY-12-OXOOCTADEC-10-ENOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 483.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 161.2±22.2 °C
Index of Refraction: 1.471
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4424.83
ACD/KOC (pH 5.5): 14168.54
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4423.35
ACD/KOC (pH 7.4): 14163.82
Polar Surface Area: 73 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

Click to predict properties on the Chemicalize site


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