ChemSpider 2D Image | (~2~H_5_)Ethyl (5Z,9Z,12Z)-5,9,12-octadecatrienoate | C20H29D5O2

(2H5)Ethyl (5Z,9Z,12Z)-5,9,12-octadecatrienoate

  • Molecular FormulaC20H29D5O2
  • Average mass311.514 Da
  • Monoisotopic mass311.287262 Da
  • ChemSpider ID58780070
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(2H5)Ethyl (5Z,9Z,12Z)-5,9,12-octadecatrienoate [ACD/IUPAC Name]
(2H5)Ethyl-(5Z,9Z,12Z)-5,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(5Z,9Z,12Z)-5,9,12-Octadécatriénoate de (2H5)éthyle [French] [ACD/IUPAC Name]
5,9,12-Octadecatrienoic acid, ethyl-d5 ester, (5Z,9Z,12Z)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 390.6±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 100.8±23.2 °C
Index of Refraction: 1.475
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 136320.61
ACD/KOC (pH 5.5): 164777.16
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 136320.61
ACD/KOC (pH 7.4): 164777.16
Polar Surface Area: 26 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 343.0±3.0 cm3

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