ChemSpider 2D Image | (13Z,16Z,19Z,22Z)-octacosatetraenoic acid | C28H48O2

(13Z,16Z,19Z,22Z)-octacosatetraenoic acid

  • Molecular FormulaC28H48O2
  • Average mass416.680 Da
  • Monoisotopic mass416.365417 Da
  • ChemSpider ID30786330

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z,16Z,19Z,22Z)-13,16,19,22-Octacosatetraenoic acid [ACD/IUPAC Name]
(13Z,16Z,19Z,22Z)-13,16,19,22-Octacosatetraensäure [German] [ACD/IUPAC Name]
(13Z,16Z,19Z,22Z)-octacosatetraenoic acid
13,16,19,22-Octacosatetraenoic acid, (13Z,16Z,19Z,22Z)- [ACD/Index Name]
Acide (13Z,16Z,19Z,22Z)-13,16,19,22-octacosatétraénoïque [French] [ACD/IUPAC Name]
(13Z,16Z,19Z,22Z)-octacosa-13,16,19,22-tetraenoic acid
13Z,16Z,19Z,22Z-octacosatetraenoic acid
28:4(13Z,16Z,19Z,22Z)
28:4(w6)
28:4(ω6)
More...
  • Miscellaneous

    • Chemical Class:

      A very long-chain <locant>omega</locant><minus/>6 fatty acid that is octacosanoic acid having four double bonds located at positions 13, 16, 19, 22 (the 13<stereo>Z</stereo>,16<stereo>Z</stereo>,19<st ereo>Z</stereo>,22<stereo>Z</stereo>-isomer). ChEBI CHEBI:77532
      A very long-chain omega-6 fatty acid that is octacosanoic acid having four double bonds located at positions 13, 16, 19, 22 (the 13Z,16Z,19Z,22Z-isomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77532, CHEBI:77532

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

Density: 0.9±0.1 g/cm3
Boiling Point: 535.7±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 88.8±6.0 kJ/mol
Flash Point: 432.1±16.6 °C
Index of Refraction: 1.493
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 11.13
ACD/LogD (pH 5.5): 8.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 442868.75
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 18023.11
ACD/KOC (pH 7.4): 7104.64
Polar Surface Area: 37 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 459.8±3.0 cm3

Click to predict properties on the Chemicalize site


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