ChemSpider 2D Image | 1-[3-(Methylsulfanyl)phenyl]-1-butanol | C11H16OS

1-[3-(Methylsulfanyl)phenyl]-1-butanol

  • Molecular FormulaC11H16OS
  • Average mass196.309 Da
  • Monoisotopic mass196.092178 Da
  • ChemSpider ID32877269

More details:

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

1-[3-(Methylsulfanyl)phenyl]-1-butanol [German] [ACD/IUPAC Name]
1-[3-(Methylsulfanyl)phenyl]-1-butanol [ACD/IUPAC Name]
1-[3-(Méthylsulfanyl)phényl]-1-butanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-(methylthio)-α-propyl- [ACD/Index Name]
1-(3-(Methylthio)phenyl)butan-1-ol
1-[3-(METHYLSULFANYL)PHENYL]BUTAN-1-OL
1-[3-(Methylthio)phenyl]-1-butanol
1314950-87-2 [RN]
atoms 13 bonds 13
MFCD11617522

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

Density: 1.1±0.1 g/cm3
Boiling Point: 306.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 149.2±21.9 °C
Index of Refraction: 1.559
Molar Refractivity: 59.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.18
ACD/KOC (pH 5.5): 974.77
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.18
ACD/KOC (pH 7.4): 974.77
Polar Surface Area: 46 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 184.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement