ChemSpider 2D Image | Tris[(2S)-2-ethylhexyl] 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate | C48H66N6O6

Tris[(2S)-2-ethylhexyl] 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate

  • Molecular FormulaC48H66N6O6
  • Average mass823.074 Da
  • Monoisotopic mass822.504395 Da
  • ChemSpider ID34995328

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4,4',4''-(1,3,5-Triazine-2,4,6-triyltriimino)tribenzoate de tris[(2S)-2-éthylhexyle] [French] [ACD/IUPAC Name]
Benzoic acid, 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, tris[(2S)-2-ethylhexyl] ester [ACD/Index Name]
Tris[(2S)-2-ethylhexyl] 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate [ACD/IUPAC Name]
Tris[(2S)-2-ethylhexyl]-4,4',4''-(1,3,5-triazin-2,4,6-triyltriimino)tribenzoat [German] [ACD/IUPAC Name]
88122-99-0 [RN]
Ethylhexyl triazone [Wiki]
UNII-XQN8R9SAK4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 869.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 479.6±37.1 °C
Index of Refraction: 1.576
Molar Refractivity: 241.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 15.53
ACD/LogD (pH 5.5): 13.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 154 Å2
Polarizability: 95.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 728.7±3.0 cm3

Click to predict properties on the Chemicalize site


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