ChemSpider 2D Image | 2-Methyl-3-sulfanyl-1-(1,1-~2~H_2_)pentanol | C6H12D2OS

2-Methyl-3-sulfanyl-1-(1,1-2H2)pentanol

  • Molecular FormulaC6H12D2OS
  • Average mass136.252 Da
  • Monoisotopic mass136.089096 Da
  • ChemSpider ID9564319

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Pentan-1,1-d2-ol, 3-mercapto-2-methyl- [ACD/Index Name]
2-Methyl-3-sulfanyl-1-(1,1-2H2)pentanol [ACD/IUPAC Name]
2-Methyl-3-sulfanyl-1-(1,1-2H2)pentanol [German] [ACD/IUPAC Name]
2-Méthyl-3-sulfanyl-1-(1,1-2H2)pentanol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 205.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.3±6.0 kJ/mol
Flash Point: 77.8±22.6 °C
Index of Refraction: 1.472
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.39
ACD/KOC (pH 5.5): 159.49
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.38
ACD/KOC (pH 7.4): 159.38
Polar Surface Area: 59 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 139.9±3.0 cm3

Click to predict properties on the Chemicalize site


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