ChemSpider 2D Image | 27,27-Dioxido-3,6,9,12,15,18,21,24-octaoxa-27lambda~6~-thianonacos-28-en-1-yl 4-methylbenzenesulfonate | C27H46O13S2

27,27-Dioxido-3,6,9,12,15,18,21,24-octaoxa-27λ6-thianonacos-28-en-1-yl 4-methylbenzenesulfonate

  • Molecular FormulaC27H46O13S2
  • Average mass642.776 Da
  • Monoisotopic mass642.237976 Da
  • ChemSpider ID58825932

More details:






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

27,27-Dioxido-3,6,9,12,15,18,21,24-octaoxa-27λ6-thianonacos-28-en-1-yl 4-methylbenzenesulfonate [ACD/IUPAC Name]
27,27-Dioxido-3,6,9,12,15,18,21,24-octaoxa-27λ6-thianonacos-28-en-1-yl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(ethenylsulfonyl)-, 4-methylbenzenesulfonate [ACD/Index Name]
4-Méthylbenzènesulfonate de 27,27-dioxydo-3,6,9,12,15,18,21,24-octaoxa-27λ6-thianonacos-28-én-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: 725.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.500
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: -1.28
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 46.32
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 46.32
Polar Surface Area: 168 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 534.5±3.0 cm3

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