ChemSpider 2D Image | 3,4,4,5,5,5-Hexafluoro-2,2,3-tris(trifluoromethyl)pentanoic acid | C8HF15O2

3,4,4,5,5,5-Hexafluoro-2,2,3-tris(trifluoromethyl)pentanoic acid

  • Molecular FormulaC8HF15O2
  • Average mass414.068 Da
  • Monoisotopic mass413.973694 Da
  • ChemSpider ID95678738

More details:






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

3,4,4,5,5,5-Hexafluor-2,2,3-tris(trifluormethyl)pentansäure [German] [ACD/IUPAC Name]
3,4,4,5,5,5-Hexafluoro-2,2,3-tris(trifluoromethyl)pentanoic acid [ACD/IUPAC Name]
Acide 3,4,4,5,5,5-hexafluoro-2,2,3-tris(trifluorométhyl)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3,4,4,5,5,5-hexafluoro-2,2,3-tris(trifluoromethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 165.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.3±6.0 kJ/mol
Flash Point: 54.0±25.9 °C
Index of Refraction: 1.289
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.36
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 18.81
ACD/KOC (pH 5.5): 24.46
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 18.74
ACD/KOC (pH 7.4): 24.37
Polar Surface Area: 37 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 16.8±3.0 dyne/cm
Molar Volume: 237.3±3.0 cm3

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