ChemSpider 2D Image | 26-(Tetrahydro-2H-pyran-2-yloxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl 4-methylbenzenesulfonate | C30H52O13S

26-(Tetrahydro-2H-pyran-2-yloxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl 4-methylbenzenesulfonate

  • Molecular FormulaC30H52O13S
  • Average mass652.791 Da
  • Monoisotopic mass652.312866 Da
  • ChemSpider ID123961290

More details:

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

26-(Tetrahydro-2H-pyran-2-yloxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl 4-methylbenzenesulfonate [ACD/IUPAC Name]
26-(Tetrahydro-2H-pyran-2-yloxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-[(tetrahydro-2H-pyran-2-yl)oxy]-, 4-methylbenzenesulfonate [ACD/Index Name]
4-Méthylbenzènesulfonate de 26-(tétrahydro-2H-pyran-2-yloxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.511
Molar Refractivity: 163.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: -1.14
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 55.86
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 55.86
Polar Surface Area: 144 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 546.9±5.0 cm3

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