ChemSpider 2D Image | 2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid | C18H24O6

2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid

  • Molecular FormulaC18H24O6
  • Average mass336.380 Da
  • Monoisotopic mass336.157288 Da
  • ChemSpider ID21514166

More details:






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

(3,5-Bis-carboxymethyl-2,4,6-trieth; yl-phenyl)-acetic acid
1,3,5-Benzenetriacetic acid, 2,4,6-triethyl- [ACD/Index Name]
2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid [ACD/IUPAC Name]
2,2',2''-(2,4,6-Triethylbenzol-1,3,5-triyl)triessigsäure [German] [ACD/IUPAC Name]
Acide 2,2',2''-(2,4,6-triéthylbenzène-1,3,5-triyl)triacétique [French] [ACD/IUPAC Name]
(3,5-Bis-carboxymethyl-2,4,6-triethyl-phenyl)-acetic acid
1,3,5-triethyl-2,4,6-tris(carboxymethyl)benzene
220759-05-7 [RN]
MFCD09032088 [MDL number]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 518.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 281.2±25.2 °C
Index of Refraction: 1.567
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 270.2±3.0 cm3

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