ChemSpider 2D Image | 1,3-Dihydroxy-2-propanyl 11-[3-hydroxy-5-(2-methyl-2-octanyl)phenoxy]undecanoate | C29H50O6

1,3-Dihydroxy-2-propanyl 11-[3-hydroxy-5-(2-methyl-2-octanyl)phenoxy]undecanoate

  • Molecular FormulaC29H50O6
  • Average mass494.704 Da
  • Monoisotopic mass494.360748 Da
  • ChemSpider ID28482216

More details:

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

1,3-Dihydroxy-2-propanyl 11-[3-hydroxy-5-(2-methyl-2-octanyl)phenoxy]undecanoate [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl-11-[3-hydroxy-5-(2-methyl-2-octanyl)phenoxy]undecanoat [German] [ACD/IUPAC Name]
11-[3-Hydroxy-5-(2-méthyl-2-octanyl)phénoxy]undécanoate de 1,3-dihydroxy-2-propanyle [French] [ACD/IUPAC Name]
Undecanoic acid, 11-[3-(1,1-dimethylheptyl)-5-hydroxyphenoxy]-, 2-hydroxy-1-(hydroxymethyl)ethyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 195.4±25.0 °C
Index of Refraction: 1.508
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 238890.36
ACD/KOC (pH 5.5): 246196.08
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 237629.45
ACD/KOC (pH 7.4): 244896.61
Polar Surface Area: 96 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 474.5±3.0 cm3

Click to predict properties on the Chemicalize site


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