ChemSpider 2D Image | (4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaenoic acid | C27H44O2

(4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaenoic acid

  • Molecular FormulaC27H44O2
  • Average mass400.637 Da
  • Monoisotopic mass400.334137 Da
  • ChemSpider ID72389440

More details:

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

(4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaenoic acid [ACD/IUPAC Name]
(4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaensäure [German] [ACD/IUPAC Name]
4,8,12,16,20-Docosapentaenoic acid, 4,8,13,17,21-pentamethyl-, (4E,8E,12E,16E)- [ACD/Index Name]
Acide (4E,8E,12E,16E)-4,8,13,17,21-pentaméthyl-4,8,12,16,20-docosapentaénoïque [French] [ACD/IUPAC Name]
4,8,13,17,21-Pentamethyldocosa-4,8,12,16,20-pentaenoic acid

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

Density: 0.9±0.1 g/cm3
Boiling Point: 523.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 419.7±19.4 °C
Index of Refraction: 1.500
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 10.21
ACD/LogD (pH 5.5): 8.24
ACD/BCF (pH 5.5): 670744.56
ACD/KOC (pH 5.5): 295023.91
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 10638.43
ACD/KOC (pH 7.4): 4679.26
Polar Surface Area: 37 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 435.9±3.0 cm3

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