ChemSpider 2D Image | (2E,4E,6E,11Z)-2,4,6,11-Octadecatetraenoic acid | C18H28O2

(2E,4E,6E,11Z)-2,4,6,11-Octadecatetraenoic acid

  • Molecular FormulaC18H28O2
  • Average mass276.414 Da
  • Monoisotopic mass276.208923 Da
  • ChemSpider ID113368169

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E,11Z)-2,4,6,11-Octadecatetraenoic acid [ACD/IUPAC Name]
(2E,4E,6E,11Z)-2,4,6,11-Octadecatetraensäure [German] [ACD/IUPAC Name]
2,4,6,11-Octadecatetraenoic acid, (2E,4E,6E,11Z)- [ACD/Index Name]
Acide (2E,4E,6E,11Z)-2,4,6,11-octadécatétraénoïque [French] [ACD/IUPAC Name]
2E,4E,6E,11Z-octadecatetraenoic acid
C18:4n-7,12,14,16
trans-2,trans-4,trans-6,cis-11-octadecatetraenoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 428.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 321.1±11.0 °C
Index of Refraction: 1.504
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 1708.76
ACD/KOC (pH 5.5): 3389.39
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 27.33
ACD/KOC (pH 7.4): 54.21
Polar Surface Area: 37 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

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