ChemSpider 2D Image | Ethyl (4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoate | C24H36O2

Ethyl (4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC24H36O2
  • Average mass356.541 Da
  • Monoisotopic mass356.271515 Da
  • ChemSpider ID31044560

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaénoate d'éthyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, ethyl ester, (4Z,7E,10E,13E,16E,19E)- [ACD/Index Name]
Ethyl (4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
Ethyl-(4Z,7E,10E,13E,16E,19E)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
84494-72-4 [RN]
CIS-4,7,10,13,16,19-DOCOSAHEXAENOIC ACID ETHYL ESTER

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

Density: 0.9±0.1 g/cm3
Boiling Point: 443.5±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 102.1±21.2 °C
Index of Refraction: 1.504
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109583.54
ACD/KOC (pH 5.5): 140938.06
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109583.54
ACD/KOC (pH 7.4): 140938.06
Polar Surface Area: 26 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 389.9±3.0 cm3

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