ChemSpider 2D Image | 1-(Methylsulfanyl)-2-butanol | C5H12OS

1-(Methylsulfanyl)-2-butanol

  • Molecular FormulaC5H12OS
  • Average mass120.213 Da
  • Monoisotopic mass120.060883 Da
  • ChemSpider ID38726523

More details:

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

1-(Methylsulfanyl)-2-butanol [German] [ACD/IUPAC Name]
1-(Methylsulfanyl)-2-butanol [ACD/IUPAC Name]
1-(Méthylsulfanyl)-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 1-(methylthio)- [ACD/Index Name]
1-(Methylsulfanyl)butan-2-ol
76137-53-6 [RN]
MFCD12823747

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

Density: 1.0±0.1 g/cm3
Boiling Point: 191.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.8±6.0 kJ/mol
Flash Point: 94.0±18.5 °C
Index of Refraction: 1.477
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.57
ACD/KOC (pH 5.5): 118.98
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.57
ACD/KOC (pH 7.4): 118.98
Polar Surface Area: 46 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 122.9±3.0 cm3

Click to predict properties on the Chemicalize site


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