ChemSpider 2D Image | 2,2,3,3,4,5,6,6,6-Nonafluoro-4,5-bis(trifluoromethyl)hexanoic acid | C8HF15O2

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

  • Molecular FormulaC8HF15O2
  • Average mass414.068 Da
  • Monoisotopic mass413.973694 Da
  • ChemSpider ID95585573

More details:






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

2,2,3,3,4,5,6,6,6-Nonafluor-4,5-bis(trifluormethyl)hexansäure [German] [ACD/IUPAC Name]
2,2,3,3,4,5,6,6,6-Nonafluoro-4,5-bis(trifluoromethyl)hexanoic acid [ACD/IUPAC Name]
Acide 2,2,3,3,4,5,6,6,6-nonafluoro-4,5-bis(trifluorométhyl)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2,2,3,3,4,5,6,6,6-nonafluoro-4,5-bis(trifluoromethyl)- [ACD/Index Name]
1144512-36-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 167.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.6±6.0 kJ/mol
Flash Point: 55.3±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: 9.13
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 6.93
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 6.60
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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