ChemSpider 2D Image | Methyl (10E,12Z)-9-hydroperoxy-10,12-octadecadienoate | C19H34O4

Methyl (10E,12Z)-9-hydroperoxy-10,12-octadecadienoate

  • Molecular FormulaC19H34O4
  • Average mass326.471 Da
  • Monoisotopic mass326.245697 Da
  • ChemSpider ID29272854

  • Double-bond stereo - Double-bond stereo

More details:

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

(10E,12Z)-9-Hydroperoxy-10,12-octadécadiénoate de méthyle [French] [ACD/IUPAC Name]
10,12-Octadecadienoic acid, 9-hydroperoxy-, methyl ester, (10E,12Z)- [ACD/Index Name]
60900-57-4 [RN]
Methyl (10E,12Z)-9-hydroperoxy-10,12-octadecadienoate [ACD/IUPAC Name]
Methyl-(10E,12Z)-9-hydroperoxy-10,12-octadecadienoat [German] [ACD/IUPAC Name]
LOOH-3
Methyl-9-hydroperoxy-δ10E,12Z-octadecadienoate
Methyl-9-hydroperoxy-δ10E,12Z-octadecadienoic acid

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

H31G9CT62N [DBID]
UNII:H31G9CT62N [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 444.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 145.7±20.3 °C
Index of Refraction: 1.477
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28704.00
ACD/KOC (pH 5.5): 54023.13
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28700.82
ACD/KOC (pH 7.4): 54017.14
Polar Surface Area: 56 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site


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