ChemSpider 2D Image | 1,3,5-tris(10-carboxydecyloxy)benzene | C39H66O9

1,3,5-tris(10-carboxydecyloxy)benzene

  • Molecular FormulaC39H66O9
  • Average mass678.936 Da
  • Monoisotopic mass678.470703 Da
  • ChemSpider ID25941165

More details:

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

1,3,5-tris(10-carboxydecyloxy)benzene
11,11',11''-[Benzene-1,3,5-triyltris(oxy)]triundecanoic acid [ACD/IUPAC Name]
11,11',11''-[Benzol-1,3,5-triyltris(oxy)]triundecansäure [German] [ACD/IUPAC Name]
Acide 11,11',11''-[benzène-1,3,5-triyltris(oxy)]triundécanoïque [French] [ACD/IUPAC Name]
Undecanoic acid, 11,11',11''-[benzene-1,3,5-triyltris(oxy)]tris- [ACD/Index Name]
1,3,5-tris(10-carboxydecyloxy) benzene
11-{3,5-BIS[(10-CARBOXYDECYL)OXY]PHENOXY}UNDECANOIC ACID
92631-02-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 817.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 239.3±22.2 °C
Index of Refraction: 1.505
Molar Refractivity: 190.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 11.23
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 96103.55
ACD/KOC (pH 5.5): 26874.38
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 44.89
ACD/KOC (pH 7.4): 12.55
Polar Surface Area: 140 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 640.5±3.0 cm3

Click to predict properties on the Chemicalize site


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