ChemSpider 2D Image | 3,3',3'',5,5',5''-Hexa-tert-butyl-alpha,alpha',alpha''-(mesitylene-2,4,6-triyl)tri-p-cresol | C54H78O3

3,3',3'',5,5',5''-Hexa-tert-butyl-α,α',α''-(mesitylene-2,4,6-triyl)tri-p-cresol

  • Molecular FormulaC54H78O3
  • Average mass775.195 Da
  • Monoisotopic mass774.595093 Da
  • ChemSpider ID7986622

More details:

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

3,3',3'',5,5',5''-Hexa-tert-butyl-α,α',α''-(mesitylene-2,4,6-triyl)tri-p-cresol
4,4',4''-[(2,4,6-Triméthylbenzène-1,3,5-triyl)triméthylène]tris[3,5-bis(2-méthyl-2-propanyl)phénol] [French] [ACD/IUPAC Name]
4,4',4''-[(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[3,5-bis(2-methyl-2-propanyl)phenol] [ACD/IUPAC Name]
4,4',4''-[(2,4,6-Trimethylbenzol-1,3,5-triyl)trimethylen]tris[3,5-bis(2-methyl-2-propanyl)phenol] [German] [ACD/IUPAC Name]
Phenol, 4,4',4''-[(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene)]tris[3,5-bis(1,1-dimethylethyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 766.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 256.5±26.1 °C
Index of Refraction: 1.547
Molar Refractivity: 244.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 17.49
ACD/LogD (pH 5.5): 15.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 61 Å2
Polarizability: 97.0±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 771.9±3.0 cm3

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