ChemSpider 2D Image | 1-{[(4-Methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid | C26H44O13S

1-{[(4-Methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

  • Molecular FormulaC26H44O13S
  • Average mass596.685 Da
  • Monoisotopic mass596.250244 Da
  • ChemSpider ID58825742

More details:






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

1-{[(4-Methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid [ACD/IUPAC Name]
1-{[(4-Methylphenyl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-säure [German] [ACD/IUPAC Name]
3,6,9,12,15,18,21,24-Octaoxaheptacosan-27-oic acid, 1-[[(4-methylphenyl)sulfonyl]oxy]- [ACD/Index Name]
Acide 1-{[(4-méthylphényl)sulfonyl]oxy}-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oïque [French] [ACD/IUPAC Name]
1-[(4-methylbenzenesulfonyl)oxy]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid
2071652-08-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.5±31.5 °C
Index of Refraction: 1.498
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.95
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 496.5±3.0 cm3

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