ChemSpider 2D Image | (+/-)8(9)-EPETRE METHYL ESTER | C21H34O3

(±)8(9)-EPETRE METHYL ESTER

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID21467295

  • Double-bond stereo - Double-bond stereo

More details:

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

(±)8(9)-EPETRE METHYL ESTER
(5Z)-7-{3-[(2Z,5Z)-2,5-Undécadién-1-yl]-2-oxiranyl}-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
132072-50-5 [RN]
5-Heptenoic acid, 7-[3-[(2Z,5Z)-2,5-undecadien-1-yl]oxiranyl]-, methyl ester, (5Z)- [ACD/Index Name]
Methyl (5Z)-7-{3-[(2Z,5Z)-2,5-undecadien-1-yl]-2-oxiranyl}-5-heptenoate [ACD/IUPAC Name]
Methyl-(5Z)-7-{3-[(2Z,5Z)-2,5-undecadien-1-yl]-2-oxiranyl}-5-heptenoat [German] [ACD/IUPAC Name]
(±)8(9)-EET methyl ester
(5Z,11Z,14Z)-8,9-epoxy-5,11,14-icosatrienoic acid methyl ester
[82835-56-1] [RN]
331965-15-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 424.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 161.7±8.9 °C
Index of Refraction: 1.486
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34267.92
ACD/KOC (pH 5.5): 61327.65
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34267.92
ACD/KOC (pH 7.4): 61327.65
Polar Surface Area: 39 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 351.4±3.0 cm3

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