ChemSpider 2D Image | 2-(1,3-Dithian-2-yl)-1-propanol | C7H14OS2

2-(1,3-Dithian-2-yl)-1-propanol

  • Molecular FormulaC7H14OS2
  • Average mass178.316 Da
  • Monoisotopic mass178.048599 Da
  • ChemSpider ID26575815

More details:






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

1,3-Dithiane-2-ethanol, β-methyl- [ACD/Index Name]
2-(1,3-Dithian-2-yl)-1-propanol [German] [ACD/IUPAC Name]
2-(1,3-Dithian-2-yl)-1-propanol [ACD/IUPAC Name]
2-(1,3-Dithian-2-yl)-1-propanol [French] [ACD/IUPAC Name]
113681-41-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 297.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.3±6.0 kJ/mol
Flash Point: 145.0±20.5 °C
Index of Refraction: 1.561
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.29
ACD/KOC (pH 5.5): 197.29
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.29
ACD/KOC (pH 7.4): 197.29
Polar Surface Area: 71 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 155.0±3.0 cm3

Click to predict properties on the Chemicalize site






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