ChemSpider 2D Image | Benzene-1,3,5-triyl tris(4-methylbenzenesulfonate) | C27H24O9S3

Benzene-1,3,5-triyl tris(4-methylbenzenesulfonate)

  • Molecular FormulaC27H24O9S3
  • Average mass588.669 Da
  • Monoisotopic mass588.058228 Da
  • ChemSpider ID9941785

More details:

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

1,3,5-Benzenetriol, tris(4-methylbenzenesulfonate) [ACD/Index Name]
Benzene-1,3,5-triyl tris(4-methylbenzenesulfonate) [ACD/IUPAC Name]
Benzol-1,3,5-triyl-tris(4-methylbenzolsulfonat) [German] [ACD/IUPAC Name]
Tris(4-méthylbenzènesulfonate) de benzène-1,3,5-triyle [French] [ACD/IUPAC Name]
20032-61-5 [RN]
3,5-bis[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-1-sulfonate
Benzene 1,3,5-tris(4-methylbenzenesulfonate)
MFCD08059202

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

Density: 1.4±0.1 g/cm3
Boiling Point: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 414.0±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15413.12
ACD/KOC (pH 5.5): 34616.21
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15413.12
ACD/KOC (pH 7.4): 34616.21
Polar Surface Area: 155 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 419.3±3.0 cm3

Click to predict properties on the Chemicalize site


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