ChemSpider 2D Image | 1,1,1-Triphenyl-2,5,8,11,14,17,20,23-octaoxapentacosan-25-yl 4-methylbenzenesulfonate | C42H54O11S

1,1,1-Triphenyl-2,5,8,11,14,17,20,23-octaoxapentacosan-25-yl 4-methylbenzenesulfonate

  • Molecular FormulaC42H54O11S
  • Average mass766.937 Da
  • Monoisotopic mass766.338684 Da
  • ChemSpider ID58825934

More details:






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

1,1,1-Triphenyl-2,5,8,11,14,17,20,23-octaoxapentacosan-25-yl 4-methylbenzenesulfonate [ACD/IUPAC Name]
1,1,1-Triphenyl-2,5,8,11,14,17,20,23-octaoxapentacosan-25-yl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
2,5,8,11,14,17,20,23-Octaoxapentacosan-25-ol, 1,1,1-triphenyl-, 4-methylbenzenesulfonate [ACD/Index Name]
4-Méthylbenzènesulfonate de 1,1,1-triphényl-2,5,8,11,14,17,20,23-octaoxapentacosan-25-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 804.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 440.5±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 208.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11412.95
ACD/KOC (pH 5.5): 27917.35
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11412.95
ACD/KOC (pH 7.4): 27917.35
Polar Surface Area: 126 Å2
Polarizability: 82.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 656.6±3.0 cm3

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