ChemSpider 2D Image | 2,2,3,3,4,4,5,6,6,7,7,7-Dodecafluoro-5-(trifluoromethyl)heptanoic acid | C8HF15O2

2,2,3,3,4,4,5,6,6,7,7,7-Dodecafluoro-5-(trifluoromethyl)heptanoic acid

  • Molecular FormulaC8HF15O2
  • Average mass414.068 Da
  • Monoisotopic mass413.973694 Da
  • ChemSpider ID32042549

More details:






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

2,2,3,3,4,4,5,6,6,7,7,7-Dodecafluor-5-(trifluormethyl)heptansäure [German] [ACD/IUPAC Name]
2,2,3,3,4,4,5,6,6,7,7,7-Dodecafluoro-5-(trifluoromethyl)heptanoic acid [ACD/IUPAC Name]
Acide 2,2,3,3,4,4,5,6,6,7,7,7-dodécafluoro-5-(trifluorométhyl)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2,2,3,3,4,4,5,6,6,7,7,7-dodecafluoro-5-(trifluoromethyl)- [ACD/Index Name]
5mPFOA
909009-42-3 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 173.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 45.2±6.0 kJ/mol
Flash Point: 58.7±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: 8.10
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 5.30
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 5.02
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

Click to predict properties on the Chemicalize site






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