ChemSpider 2D Image | 1-(2-Methyl-2-propanyl)-4-{[(4-phenoxybutyl)sulfinyl]methyl}benzene | C21H28O2S

1-(2-Methyl-2-propanyl)-4-{[(4-phenoxybutyl)sulfinyl]methyl}benzene

  • Molecular FormulaC21H28O2S
  • Average mass344.511 Da
  • Monoisotopic mass344.181000 Da
  • ChemSpider ID60211092

More details:

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

1-(2-Methyl-2-propanyl)-4-{[(4-phenoxybutyl)sulfinyl]methyl}benzene [ACD/IUPAC Name]
1-(2-Méthyl-2-propanyl)-4-{[(4-phénoxybutyl)sulfinyl]méthyl}benzène [French] [ACD/IUPAC Name]
1-(2-Methyl-2-propanyl)-4-{[(4-phenoxybutyl)sulfinyl]methyl}benzol [German] [ACD/IUPAC Name]
Benzene, 1-(1,1-dimethylethyl)-4-[[(4-phenoxybutyl)sulfinyl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 526.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 272.1±28.2 °C
Index of Refraction: 1.566
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1964.09
ACD/KOC (pH 5.5): 7922.13
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1964.09
ACD/KOC (pH 7.4): 7922.13
Polar Surface Area: 46 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 316.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement