ChemSpider 2D Image | O-Pentyl methanesulfonothioate | C6H14O2S2

O-Pentyl methanesulfonothioate

  • Molecular FormulaC6H14O2S2
  • Average mass182.304 Da
  • Monoisotopic mass182.043518 Da
  • ChemSpider ID35467104

More details:

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

Méthanesulfonothioate de O-pentyle [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, O-pentyl ester [ACD/Index Name]
O-Pentyl methanesulfonothioate [ACD/IUPAC Name]
O-Pentyl-methansulfonothioat [German] [ACD/IUPAC Name]
4212-64-0 [RN]
Pentyl Methanethiosulfonate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 232.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 94.1±22.6 °C
Index of Refraction: 1.494
Molar Refractivity: 47.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.18
ACD/KOC (pH 5.5): 540.82
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.18
ACD/KOC (pH 7.4): 540.82
Polar Surface Area: 67 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 162.8±3.0 cm3

Click to predict properties on the Chemicalize site


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