Found 1 result

Search term: XYSKFGIOQNTGLA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,3,3,4,4,5,6,6,6-Nonafluoro-2,5-bis(trifluoromethyl)hexanoic acid | C8HF15O2

2,3,3,4,4,5,6,6,6-Nonafluoro-2,5-bis(trifluoromethyl)hexanoic acid

  • Molecular FormulaC8HF15O2
  • Average mass414.068 Da
  • Monoisotopic mass413.973694 Da
  • ChemSpider ID95578535

More details:

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

2,3,3,4,4,5,6,6,6-Nonafluor-2,5-bis(trifluormethyl)hexansäure [German] [ACD/IUPAC Name]
2,3,3,4,4,5,6,6,6-Nonafluoro-2,5-bis(trifluoromethyl)hexanoic acid [ACD/IUPAC Name]
Acide 2,3,3,4,4,5,6,6,6-nonafluoro-2,5-bis(trifluorométhyl)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2,3,3,4,4,5,6,6,6-nonafluoro-2,5-bis(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 167.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.5±6.0 kJ/mol
Flash Point: 54.9±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: 8.31
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 4.94
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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