ChemSpider 2D Image | 3,3,3-Trifluoro-2-[(2-thienylsulfonyl)methyl]propanoic acid | C8H7F3O4S2

3,3,3-Trifluoro-2-[(2-thienylsulfonyl)methyl]propanoic acid

  • Molecular FormulaC8H7F3O4S2
  • Average mass288.264 Da
  • Monoisotopic mass287.973785 Da
  • ChemSpider ID36736652

More details:

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

3,3,3-Trifluor-2-[(2-thienylsulfonyl)methyl]propansäure [German] [ACD/IUPAC Name]
3,3,3-Trifluoro-2-[(2-thienylsulfonyl)methyl]propanoic acid [ACD/IUPAC Name]
Acide 3,3,3-trifluoro-2-[(2-thiénylsulfonyl)méthyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3,3,3-trifluoro-2-[(2-thienylsulfonyl)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 449.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 225.7±28.7 °C
Index of Refraction: 1.509
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 181.6±3.0 cm3

Click to predict properties on the Chemicalize site


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