ChemSpider 2D Image | (3-Methyl-3-oxetanyl)methyl trifluoromethanesulfonate | C6H9F3O4S

(3-Methyl-3-oxetanyl)methyl trifluoromethanesulfonate

  • Molecular FormulaC6H9F3O4S
  • Average mass234.193 Da
  • Monoisotopic mass234.017365 Da
  • ChemSpider ID97199169

More details:

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

(3-Methyl-3-oxetanyl)methyl trifluoromethanesulfonate [ACD/IUPAC Name]
(3-Methyl-3-oxetanyl)methyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, (3-methyl-3-oxetanyl)methyl ester [ACD/Index Name]
Trifluorométhanesulfonate de (3-méthyl-3-oxétanyl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 215.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.4±3.0 kJ/mol
Flash Point: 84.3±25.9 °C
Index of Refraction: 1.414
Molar Refractivity: 40.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.78
ACD/KOC (pH 5.5): 273.09
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.78
ACD/KOC (pH 7.4): 273.09
Polar Surface Area: 61 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 161.8±3.0 cm3

Click to predict properties on the Chemicalize site


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