ChemSpider 2D Image | 2,6-Diisopropylphenyl 2,5,8,11,14,17,20-heptaoxadocosan-22-oate | C27H46O9

2,6-Diisopropylphenyl 2,5,8,11,14,17,20-heptaoxadocosan-22-oate

  • Molecular FormulaC27H46O9
  • Average mass514.649 Da
  • Monoisotopic mass514.314209 Da
  • ChemSpider ID90641594

More details:

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

2,5,8,11,14,17,20-Heptaoxadocosan-22-oate de 2,6-diisopropylphényle [French] [ACD/IUPAC Name]
2,5,8,11,14,17,20-Heptaoxadocosan-22-oic acid, 2,6-bis(1-methylethyl)phenyl ester [ACD/Index Name]
2,6-Diisopropylphenyl 2,5,8,11,14,17,20-heptaoxadocosan-22-oate [ACD/IUPAC Name]
2,6-Diisopropylphenyl-2,5,8,11,14,17,20-heptaoxadocosan-22-oat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 231.9±30.2 °C
Index of Refraction: 1.481
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.31
ACD/KOC (pH 5.5): 550.23
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.31
ACD/KOC (pH 7.4): 550.23
Polar Surface Area: 91 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 486.3±3.0 cm3

Click to predict properties on the Chemicalize site


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