ChemSpider 2D Image | 1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]propyl}cyclododecanol | C23H38O3S

1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]propyl}cyclododecanol

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID35777140

More details:






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

1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]propyl}cyclododecanol [German] [ACD/IUPAC Name]
1-{2-Methyl-3-[(4-methylphenyl)sulfonyl]propyl}cyclododecanol [ACD/IUPAC Name]
1-{2-Méthyl-3-[(4-méthylphényl)sulfonyl]propyl}cyclododécanol [French] [ACD/IUPAC Name]
Cyclododecanol, 1-[2-methyl-3-[(4-methylphenyl)sulfonyl]propyl]- [ACD/Index Name]
1-(2-Methyl-3-tosylpropyl)cyclododecanol
1-[2-Methyl-3-(4-methylbenzene-1-sulfonyl)propyl]cyclododecan-1-ol
62221-79-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 552.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.0±27.9 °C
Index of Refraction: 1.508
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18650.44
ACD/KOC (pH 5.5): 39677.61
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18650.44
ACD/KOC (pH 7.4): 39677.61
Polar Surface Area: 63 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 381.7±3.0 cm3

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