ChemSpider 2D Image | (~2~H_5_)Ethyl (9Z,12Z)-9,12-octadecadienoate | C20H31D5O2

(2H5)Ethyl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC20H31D5O2
  • Average mass313.529 Da
  • Monoisotopic mass313.302917 Da
  • ChemSpider ID48061649

  • 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 (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2H5)Ethyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2H5)éthyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, ethyl-d5 ester, (9Z,12Z)- [ACD/Index Name]
1,1,2,2,2-pentadeuterioethyl (9Z,12Z)-octadeca-9,12-dienoate
1331665-14-5 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 388.3±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 96.3±20.4 °C
Index of Refraction: 1.465
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 274087.41
ACD/KOC (pH 5.5): 271653.47
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 274087.41
ACD/KOC (pH 7.4): 271653.47
Polar Surface Area: 26 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 349.4±3.0 cm3

Click to predict properties on the Chemicalize site


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