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Search term: LRVLLQKHDVZLEC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 27-Oxo-3,6,9,12,15,18,21,24-octaoxaheptacos-1-yl 4-methylbenzenesulfonate | C26H44O12S

27-Oxo-3,6,9,12,15,18,21,24-octaoxaheptacos-1-yl 4-methylbenzenesulfonate

  • Molecular FormulaC26H44O12S
  • Average mass580.685 Da
  • Monoisotopic mass580.255371 Da
  • ChemSpider ID58825933

More details:






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

27-Oxo-3,6,9,12,15,18,21,24-octaoxaheptacos-1-yl 4-methylbenzenesulfonate [ACD/IUPAC Name]
27-Oxo-3,6,9,12,15,18,21,24-octaoxaheptacos-1-yl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
3,6,9,12,15,18,21,24-Octaoxaheptacosan-27-al, 1-[[(4-methylphenyl)sulfonyl]oxy]- [ACD/Index Name]
4-Méthylbenzènesulfonate de 27-oxo-3,6,9,12,15,18,21,24-octaoxaheptacos-1-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: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.490
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: -1.26
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.74
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.74
Polar Surface Area: 143 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 499.2±3.0 cm3

Click to predict properties on the Chemicalize site






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