ChemSpider 2D Image | (13E,16Z,19E)-13,16,19-Docosatrienoic acid | C22H38O2

(13E,16Z,19E)-13,16,19-Docosatrienoic acid

  • Molecular FormulaC22H38O2
  • Average mass334.536 Da
  • Monoisotopic mass334.287170 Da
  • ChemSpider ID59696702

  • Double-bond stereo - Double-bond stereo

More details:

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

(13E,16Z,19E)-13,16,19-Docosatrienoic acid [ACD/IUPAC Name]
(13E,16Z,19E)-13,16,19-Docosatriensäure [German] [ACD/IUPAC Name]
13,16,19-Docosatrienoic acid, (13E,16Z,19E)- [ACD/Index Name]
Acide (13E,16Z,19E)-13,16,19-docosatriénoïque [French] [ACD/IUPAC Name]
(13E,16Z,19E)-docosa-13,16,19-trienoic acid
(all-Z)-13,16,19-Docosatrienoic acid
28845-86-5 [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: 459.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 355.8±15.2 °C
Index of Refraction: 1.488
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 32034.55
ACD/KOC (pH 5.5): 34707.24
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 513.91
ACD/KOC (pH 7.4): 556.78
Polar Surface Area: 37 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 367.2±3.0 cm3

Click to predict properties on the Chemicalize site


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