ChemSpider 2D Image | 3-(Octylsulfanyl)-1,2-propanediol | C11H24O2S

3-(Octylsulfanyl)-1,2-propanediol

  • Molecular FormulaC11H24O2S
  • Average mass220.372 Da
  • Monoisotopic mass220.149704 Da
  • ChemSpider ID36274029

More details:






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

1,2-Propanediol, 3-(octylthio)- [ACD/Index Name]
3-(Octylsulfanyl)-1,2-propandiol [German] [ACD/IUPAC Name]
3-(Octylsulfanyl)-1,2-propanediol [ACD/IUPAC Name]
3-(Octylsulfanyl)-1,2-propanediol [French] [ACD/IUPAC Name]
54581-75-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 356.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 173.4±21.0 °C
Index of Refraction: 1.495
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.73
ACD/KOC (pH 5.5): 1194.58
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 139.73
ACD/KOC (pH 7.4): 1194.58
Polar Surface Area: 66 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 219.5±3.0 cm3

Click to predict properties on the Chemicalize site






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