ChemSpider 2D Image | 2-Oxiranylmethyl (11E)-11-octadecenoate | C21H38O3

2-Oxiranylmethyl (11E)-11-octadecenoate

  • Molecular FormulaC21H38O3
  • Average mass338.525 Da
  • Monoisotopic mass338.282104 Da
  • ChemSpider ID77494323
  • Double-bond stereo - Double-bond stereo


More details:






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

(11E)-11-Octadécénoate de 2-oxiranylméthyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, oxiranylmethyl ester, (11E)- [ACD/Index Name]
2-Oxiranylmethyl (11E)-11-octadecenoate [ACD/IUPAC Name]
2-Oxiranylmethyl-(11E)-11-octadecenoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 423.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 161.5±6.1 °C
Index of Refraction: 1.472
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 143550.86
ACD/KOC (pH 5.5): 170986.63
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 143550.86
ACD/KOC (pH 7.4): 170986.63
Polar Surface Area: 39 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 359.6±3.0 cm3

Click to predict properties on the Chemicalize site






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