ChemSpider 2D Image | 3,6-Disulfanyl-1,8-octanediol | C8H18O2S2

3,6-Disulfanyl-1,8-octanediol

  • Molecular FormulaC8H18O2S2
  • Average mass210.357 Da
  • Monoisotopic mass210.074814 Da
  • ChemSpider ID28576869

More details:

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

1,8-Octanediol, 3,6-dimercapto- [ACD/Index Name]
3,6-Disulfanyl-1,8-octandiol [German] [ACD/IUPAC Name]
3,6-Disulfanyl-1,8-octanediol [ACD/IUPAC Name]
3,6-Disulfanyl-1,8-octanediol [French] [ACD/IUPAC Name]
3,6-Bis(sulfanyl)octane-1,8-diol
3,6-DISULFANYLOCTANE-1,8-DIOL
807638-73-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 374.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 180.3±27.9 °C
Index of Refraction: 1.540
Molar Refractivity: 57.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 110.92
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 110.72
Polar Surface Area: 118 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 184.5±3.0 cm3

Click to predict properties on the Chemicalize site


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