ChemSpider 2D Image | 1-[(2-Methyl-2-propanyl)sulfonyl]-4-(octylsulfanyl)benzene | C18H30O2S2

1-[(2-Methyl-2-propanyl)sulfonyl]-4-(octylsulfanyl)benzene

  • Molecular FormulaC18H30O2S2
  • Average mass342.560 Da
  • Monoisotopic mass342.168732 Da
  • ChemSpider ID28592750

More details:

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

1-[(2-Methyl-2-propanyl)sulfonyl]-4-(octylsulfanyl)benzene [ACD/IUPAC Name]
1-[(2-Méthyl-2-propanyl)sulfonyl]-4-(octylsulfanyl)benzène [French] [ACD/IUPAC Name]
1-[(2-Methyl-2-propanyl)sulfonyl]-4-(octylsulfanyl)benzol [German] [ACD/IUPAC Name]
Benzene, 1-[(1,1-dimethylethyl)sulfonyl]-4-(octylthio)- [ACD/Index Name]
1-(2-METHYLPROPANE-2-SULFONYL)-4-(OCTYLSULFANYL)BENZENE
189823-54-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 471.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 238.8±26.5 °C
Index of Refraction: 1.532
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43865.90
ACD/KOC (pH 5.5): 73184.16
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43865.90
ACD/KOC (pH 7.4): 73184.16
Polar Surface Area: 68 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 320.1±5.0 cm3

Click to predict properties on the Chemicalize site


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