ChemSpider 2D Image | 2,2,2-Trifluoroethyl 3-pyridinesulfonate | C7H6F3NO3S

2,2,2-Trifluoroethyl 3-pyridinesulfonate

  • Molecular FormulaC7H6F3NO3S
  • Average mass241.188 Da
  • Monoisotopic mass241.002045 Da
  • ChemSpider ID31658866

More details:

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

2,2,2-Trifluorethyl-3-pyridinsulfonat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl 3-pyridinesulfonate [ACD/IUPAC Name]
3-Pyridinesulfonate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
3-Pyridinesulfonic acid, 2,2,2-trifluoroethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 319.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 147.0±26.5 °C
Index of Refraction: 1.459
Molar Refractivity: 44.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.46
ACD/KOC (pH 5.5): 117.27
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 117.27
Polar Surface Area: 65 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 163.7±3.0 cm3

Click to predict properties on the Chemicalize site


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