ChemSpider 2D Image | 2,2',2''-[1,3,5-Triazine-2,4,6-triyltris(imino-4,1-phenylene)]tris(3-ethylheptanoic acid) | C48H66N6O6

2,2',2''-[1,3,5-Triazine-2,4,6-triyltris(imino-4,1-phenylene)]tris(3-ethylheptanoic acid)

  • Molecular FormulaC48H66N6O6
  • Average mass823.074 Da
  • Monoisotopic mass822.504395 Da
  • ChemSpider ID8322915

More details:






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

2,2',2''-[1,3,5-Triazin-2,4,6-triyltris(imino-4,1-phenylen)]tris(3-ethylheptansäure) [German] [ACD/IUPAC Name]
2,2',2''-[1,3,5-Triazine-2,4,6-triyltris(imino-4,1-phenylene)]tris(3-ethylheptanoic acid) [ACD/IUPAC Name]
Acide 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(imino-4,1-phénylène)]tris(3-éthylheptanoïque) [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris[α-(1-ethylpentyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 923.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 512.2±37.1 °C
Index of Refraction: 1.600
Molar Refractivity: 239.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 11.61
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 51684.78
ACD/KOC (pH 5.5): 8398.48
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 293.20
ACD/KOC (pH 7.4): 47.64
Polar Surface Area: 187 Å2
Polarizability: 94.8±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 699.6±3.0 cm3

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