ChemSpider 2D Image | 2-Isopropyl-1,3-dithiolan-2-ol | C6H12OS2

2-Isopropyl-1,3-dithiolan-2-ol

  • Molecular FormulaC6H12OS2
  • Average mass164.289 Da
  • Monoisotopic mass164.032959 Da
  • ChemSpider ID24211125

More details:






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

1,3-Dithiolan-2-ol, 2-(1-methylethyl)- [ACD/Index Name]
2-Isopropyl-1,3-dithiolan-2-ol [ACD/IUPAC Name]
2-Isopropyl-1,3-dithiolan-2-ol [German] [ACD/IUPAC Name]
2-Isopropyl-1,3-dithiolan-2-ol [French] [ACD/IUPAC Name]
1,3-Dithiolan-2-ol, 2-(1-methylethyl)- (9CI)
1,3-Dithiolan-2-ol,2-(1-methylethyl)-(9CI)
104946-15-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 260.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.9±6.0 kJ/mol
Flash Point: 127.2±24.7 °C
Index of Refraction: 1.588
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.28
ACD/KOC (pH 5.5): 171.42
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.27
ACD/KOC (pH 7.4): 171.38
Polar Surface Area: 71 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 135.2±3.0 cm3

Click to predict properties on the Chemicalize site






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