ChemSpider 2D Image | 6,6,6-Trifluorohexanoic acid | C6H9F3O2

6,6,6-Trifluorohexanoic acid

  • Molecular FormulaC6H9F3O2
  • Average mass170.130 Da
  • Monoisotopic mass170.055466 Da
  • ChemSpider ID26468348

More details:

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

6,6,6-Trifluorhexansäure [German] [ACD/IUPAC Name]
6,6,6-Trifluorohexanoic acid [ACD/IUPAC Name]
Acide 6,6,6-trifluorohexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6,6,6-trifluoro- [ACD/Index Name]
764-64-7 [RN]
MFCD02262194

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

Density: 1.2±0.1 g/cm3
Boiling Point: 190.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 47.1±6.0 kJ/mol
Flash Point: 69.3±25.9 °C
Index of Refraction: 1.377
Molar Refractivity: 31.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.42
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 138.6±3.0 cm3

Click to predict properties on the Chemicalize site


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