ChemSpider 2D Image | 3-[(2,2,2-Trifluoroethyl)sulfonyl]butanoic acid | C6H9F3O4S

3-[(2,2,2-Trifluoroethyl)sulfonyl]butanoic acid

  • Molecular FormulaC6H9F3O4S
  • Average mass234.193 Da
  • Monoisotopic mass234.017365 Da
  • ChemSpider ID71504800

More details:

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

3-[(2,2,2-Trifluorethyl)sulfonyl]butansäure [German] [ACD/IUPAC Name]
3-[(2,2,2-Trifluoroethyl)sulfonyl]butanoic acid [ACD/IUPAC Name]
Acide 3-[(2,2,2-trifluoroéthyl)sulfonyl]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[(2,2,2-trifluoroethyl)sulfonyl]- [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: 365.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.2±6.0 kJ/mol
Flash Point: 175.0±27.9 °C
Index of Refraction: 1.422
Molar Refractivity: 40.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 160.0±3.0 cm3

Click to predict properties on the Chemicalize site


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