ChemSpider 2D Image | Methyl (13E)-13-icosenoate | C21H40O2

Methyl (13E)-13-icosenoate

  • Molecular FormulaC21H40O2
  • Average mass324.541 Da
  • Monoisotopic mass324.302826 Da
  • ChemSpider ID57518732

  • Double-bond stereo - Double-bond stereo

More details:

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

(13E)-13-Icosénoate de méthyle [French] [ACD/IUPAC Name]
13-Eicosenoic acid, methyl ester, (13E)- [ACD/Index Name]
Methyl (13E)-13-icosenoate [ACD/IUPAC Name]
Methyl-(13E)-13-icosenoat [German] [ACD/IUPAC Name]
69120-02-1 [RN]
cis-13-Eicosenoic acid methyl ester
METHYL ICOS-13-ENOATE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 394.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 87.1±17.6 °C
Index of Refraction: 1.456
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 793022.13
ACD/KOC (pH 5.5): 581136.19
ACD/LogD (pH 7.4): 8.06
ACD/BCF (pH 7.4): 793022.13
ACD/KOC (pH 7.4): 581136.19
Polar Surface Area: 26 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 372.3±3.0 cm3

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