ChemSpider 2D Image | 4,4,7,7-Tetramethylcyclododecyl 4-methylbenzenesulfonate | C23H38O3S

4,4,7,7-Tetramethylcyclododecyl 4-methylbenzenesulfonate

  • Molecular FormulaC23H38O3S
  • Average mass394.611 Da
  • Monoisotopic mass394.254150 Da
  • ChemSpider ID74847502

More details:






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

4,4,7,7-Tetramethylcyclododecyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
4,4,7,7-Tetramethylcyclododecyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de 4,4,7,7-tétraméthylcyclododécyle [French] [ACD/IUPAC Name]
Cyclododecanol, 4,4,7,7-tetramethyl-, 4-methylbenzenesulfonate [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 488.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 248.9±20.1 °C
Index of Refraction: 1.519
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 862934.69
ACD/KOC (pH 5.5): 617365.19
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 862934.69
ACD/KOC (pH 7.4): 617365.19
Polar Surface Area: 52 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 375.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement