ChemSpider 2D Image | Ethyl (9Z,12Z,15Z)-(17,17,18,18,18-~2~H_5_)-9,12,15-octadecatrienoate | C20H29D5O2

Ethyl (9Z,12Z,15Z)-(17,17,18,18,18-2H5)-9,12,15-octadecatrienoate

  • Molecular FormulaC20H29D5O2
  • Average mass311.514 Da
  • Monoisotopic mass311.287262 Da
  • ChemSpider ID76714543

  • 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

(9Z,12Z,15Z)-(17,17,18,18,18-2H5)-9,12,15-Octadécatriénoate d'éthyle [French] [ACD/IUPAC Name]
203633-16-3 [RN]
9,12,15-Octadecatrienoic-17,17,18,18,18-d5 acid, ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
Ethyl (9Z,12Z,15Z)-(17,17,18,18,18-2H5)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
Ethyl-(9Z,12Z,15Z)-(17,17,18,18,18-2H5)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9Z,12Z,15Z-octadecatrienoic-17,17,18,18,18-d5 acid, ethyl ester
α-Linolenic Acid ethyl ester-d5

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

Density: 0.9±0.1 g/cm3
Boiling Point: 374.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 100.7±20.4 °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: 7.49
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 92329.83
ACD/KOC (pH 5.5): 124672.69
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 92329.83
ACD/KOC (pH 7.4): 124672.69
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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