ChemSpider 2D Image | (9Z,12Z)-9,12-Hexadecadienoate | C16H27O2

(9Z,12Z)-9,12-Hexadecadienoate

  • Molecular FormulaC16H27O2
  • Average mass251.385 Da
  • Monoisotopic mass251.201660 Da
  • ChemSpider ID30786225

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Hexadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Hexadecadienoate [ACD/IUPAC Name]
(9Z,12Z)-9,12-Hexadécadiénoate [French] [ACD/IUPAC Name]
9,12-Hexadecadienoic acid, ion(1-), (9Z,12Z)- [ACD/Index Name]
(9Z,12Z)-hexadeca-9,12-dienoate
(9Z,12Z)-hexadecadienoate
C16:2(ω-4)(1-)
  • Miscellaneous

    • Chemical Class:

      A polyunsaturated fatty acid anion that is the conjugate base of (9Z,12Z)-hexadecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.; 3. ChEBI CHEBI:77219
      A polyunsaturated fatty acid anion that is the conjugate base of (9Z,12Z)-hexadecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:77219

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

Density:
Boiling Point: 345.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.8±6.0 kJ/mol
Flash Point: 242.3±14.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 1935.41
ACD/KOC (pH 5.5): 4650.10
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 31.03
ACD/KOC (pH 7.4): 74.57
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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