ChemSpider 2D Image | Tri-2-octanyl 1,2,4-benzenetricarboxylate | C33H54O6

Tri-2-octanyl 1,2,4-benzenetricarboxylate

  • Molecular FormulaC33H54O6
  • Average mass546.778 Da
  • Monoisotopic mass546.392029 Da
  • ChemSpider ID55984

More details:

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

1,2,4-Benzènetricarboxylate de tri-2-octanyle [French] [ACD/IUPAC Name]
1,2,4-Benzenetricarboxylic acid, tris(1-methylheptyl) ester [ACD/Index Name]
261-759-3 [EINECS]
Tri-2-octanyl 1,2,4-benzenetricarboxylate [ACD/IUPAC Name]
Tri-2-octanyl-1,2,4-benzoltricarboxylat [German] [ACD/IUPAC Name]
Trioctan-2-yl benzene-1,2,4-tricarboxylate
1,2,4-TRIS(OCTAN-2-YL) BENZENE-1,2,4-TRICARBOXYLATE
59431-98-0 [RN]
TRICAPRYL TRIMELLITATE
tris(1-methylheptyl) benzene-1,2,4-tricarboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 585.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 238.3±24.6 °C
Index of Refraction: 1.488
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 12.80
ACD/LogD (pH 5.5): 11.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 550.9±3.0 cm3

Click to predict properties on the Chemicalize site


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