ChemSpider 2D Image | Methyl 2-methyl-3-[(trifluoromethyl)sulfonyl]propanoate | C6H9F3O4S

Methyl 2-methyl-3-[(trifluoromethyl)sulfonyl]propanoate

  • Molecular FormulaC6H9F3O4S
  • Average mass234.193 Da
  • Monoisotopic mass234.017365 Da
  • ChemSpider ID71506237

More details:

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

2-Méthyl-3-[(trifluorométhyl)sulfonyl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-methyl-3-[(trifluoromethyl)sulfonyl]propanoate [ACD/IUPAC Name]
Methyl-2-methyl-3-[(trifluormethyl)sulfonyl]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-3-[(trifluoromethyl)sulfonyl]-, methyl ester [ACD/Index 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: 266.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 114.9±27.3 °C
Index of Refraction: 1.399
Molar Refractivity: 40.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.34
ACD/KOC (pH 5.5): 321.61
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.34
ACD/KOC (pH 7.4): 321.61
Polar Surface Area: 69 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


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