ChemSpider 2D Image | Trimethyl 3,3',3''-(hydroxymethanetriyl)tris(6-hydroxy-5-methylbenzoate) | C28H28O10

Trimethyl 3,3',3''-(hydroxymethanetriyl)tris(6-hydroxy-5-methylbenzoate)

  • Molecular FormulaC28H28O10
  • Average mass524.516 Da
  • Monoisotopic mass524.168274 Da
  • ChemSpider ID320352

More details:

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

3,3',3''-(Hydroxyméthanetriyl)tris(6-hydroxy-5-méthylbenzoate) de triméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,3',3''-(hydroxymethylidyne)tris[6-hydroxy-5-methyl-, trimethyl ester [ACD/Index Name]
Trimethyl 3,3',3''-(hydroxymethanetriyl)tris(6-hydroxy-5-methylbenzoate) [ACD/IUPAC Name]
Trimethyl-3,3',3''-(hydroxymethantriyl)tris(6-hydroxy-5-methylbenzoat) [German] [ACD/IUPAC Name]
(5,5',5''-Trimethyl-3,3',3''-trimethylcarboxy-4,4',4''- trihydroxy)-triphenylmethanol

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

NSC623551 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 222.2±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13451.06
ACD/KOC (pH 5.5): 31400.41
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13311.38
ACD/KOC (pH 7.4): 31074.35
Polar Surface Area: 160 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 388.1±3.0 cm3

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