ChemSpider 2D Image | 3-{[2-(3-Methylbutoxy)ethyl]sulfanyl}-1-butanol | C11H24O2S

3-{[2-(3-Methylbutoxy)ethyl]sulfanyl}-1-butanol

  • Molecular FormulaC11H24O2S
  • Average mass220.372 Da
  • Monoisotopic mass220.149704 Da
  • ChemSpider ID69010634

More details:






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

1-Butanol, 3-[[2-(3-methylbutoxy)ethyl]thio]- [ACD/Index Name]
3-{[2-(3-Methylbutoxy)ethyl]sulfanyl}-1-butanol [German] [ACD/IUPAC Name]
3-{[2-(3-Methylbutoxy)ethyl]sulfanyl}-1-butanol [ACD/IUPAC Name]
3-{[2-(3-Méthylbutoxy)éthyl]sulfanyl}-1-butanol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 298.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.4±6.0 kJ/mol
Flash Point: 134.1±21.8 °C
Index of Refraction: 1.473
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.37
ACD/KOC (pH 5.5): 623.72
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.37
ACD/KOC (pH 7.4): 623.72
Polar Surface Area: 55 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site






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