ChemSpider 2D Image | 1-[(2-Butoxy-5-isopropyl-4-methylphenyl)sulfonyl]azepane | C20H33NO3S

1-[(2-Butoxy-5-isopropyl-4-methylphenyl)sulfonyl]azepane

  • Molecular FormulaC20H33NO3S
  • Average mass367.546 Da
  • Monoisotopic mass367.218109 Da
  • ChemSpider ID21658817

More details:






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

1-[(2-Butoxy-5-isopropyl-4-methylphenyl)sulfonyl]azepan [German] [ACD/IUPAC Name]
1-[(2-Butoxy-5-isopropyl-4-methylphenyl)sulfonyl]azepane [ACD/IUPAC Name]
1-[(2-Butoxy-5-isopropyl-4-méthylphényl)sulfonyl]azépane [French] [ACD/IUPAC Name]
1H-Azepine, 1-[[2-butoxy-4-methyl-5-(1-methylethyl)phenyl]sulfonyl]hexahydro- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.7±31.5 °C
Index of Refraction: 1.519
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9194.82
ACD/KOC (pH 5.5): 23916.30
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9194.82
ACD/KOC (pH 7.4): 23916.30
Polar Surface Area: 55 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 342.4±3.0 cm3

Click to predict properties on the Chemicalize site






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