ChemSpider 2D Image | 1-Butoxy-2-(methylsulfanyl)benzene | C11H16OS

1-Butoxy-2-(methylsulfanyl)benzene

  • Molecular FormulaC11H16OS
  • Average mass196.309 Da
  • Monoisotopic mass196.092178 Da
  • ChemSpider ID35331292

More details:

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

1443310-60-8 [RN]
1-Butoxy-2-(methylsulfanyl)benzene [ACD/IUPAC Name]
1-Butoxy-2-(méthylsulfanyl)benzène [French] [ACD/IUPAC Name]
1-Butoxy-2-(methylsulfanyl)benzol [German] [ACD/IUPAC Name]
Benzene, 1-butoxy-2-(methylthio)- [ACD/Index Name]
(2-Butoxyphenyl)(methyl)sulfane
2-n-Butoxyphenyl methyl sulfide
atoms 13 bonds 13
MFCD22373589

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

Density: 1.0±0.1 g/cm3
Boiling Point: 278.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 122.4±22.6 °C
Index of Refraction: 1.533
Molar Refractivity: 59.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 335.18
ACD/KOC (pH 5.5): 2234.60
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 335.18
ACD/KOC (pH 7.4): 2234.60
Polar Surface Area: 35 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 192.2±5.0 cm3

Click to predict properties on the Chemicalize site


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