ChemSpider 2D Image | 3-(Pentylsulfinyl)-1-propanol | C8H18O2S

3-(Pentylsulfinyl)-1-propanol

  • Molecular FormulaC8H18O2S
  • Average mass178.292 Da
  • Monoisotopic mass178.102753 Da
  • ChemSpider ID60193924

More details:






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

1-Propanol, 3-(pentylsulfinyl)- [ACD/Index Name]
3-(Pentylsulfinyl)-1-propanol [German] [ACD/IUPAC Name]
3-(Pentylsulfinyl)-1-propanol [ACD/IUPAC Name]
3-(Pentylsulfinyl)-1-propanol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 353.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 167.4±23.2 °C
Index of Refraction: 1.503
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 105.65
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.72
ACD/KOC (pH 7.4): 105.65
Polar Surface Area: 57 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 167.6±3.0 cm3

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