ChemSpider 2D Image | 3-{[3-(Methylsulfanyl)propyl]sulfanyl}-1-butanol | C8H18OS2

3-{[3-(Methylsulfanyl)propyl]sulfanyl}-1-butanol

  • Molecular FormulaC8H18OS2
  • Average mass194.358 Da
  • Monoisotopic mass194.079910 Da
  • ChemSpider ID41786448

More details:

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

1-Butanol, 3-[[3-(methylthio)propyl]thio]- [ACD/Index Name]
3-{[3-(Methylsulfanyl)propyl]sulfanyl}-1-butanol [German] [ACD/IUPAC Name]
3-{[3-(Methylsulfanyl)propyl]sulfanyl}-1-butanol [ACD/IUPAC Name]
3-{[3-(Méthylsulfanyl)propyl]sulfanyl}-1-butanol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 294.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 143.7±20.5 °C
Index of Refraction: 1.519
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.10
ACD/KOC (pH 5.5): 435.30
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.10
ACD/KOC (pH 7.4): 435.30
Polar Surface Area: 71 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 186.4±3.0 cm3

Click to predict properties on the Chemicalize site


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