ChemSpider 2D Image | (3R)-2,2,3,4,4,5,5,6,6,7,8,8,8-Tridecafluoro-3,7-bis(trifluoromethyl)octanoic acid | C10HF19O2

(3R)-2,2,3,4,4,5,5,6,6,7,8,8,8-Tridecafluoro-3,7-bis(trifluoromethyl)octanoic acid

  • Molecular FormulaC10HF19O2
  • Average mass514.083 Da
  • Monoisotopic mass513.967285 Da
  • ChemSpider ID114101322

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-2,2,3,4,4,5,5,6,6,7,8,8,8-Tridecafluor-3,7-bis(trifluormethyl)octansäure [German] [ACD/IUPAC Name]
(3R)-2,2,3,4,4,5,5,6,6,7,8,8,8-Tridecafluoro-3,7-bis(trifluoromethyl)octanoic acid [ACD/IUPAC Name]
Acide (3R)-2,2,3,4,4,5,5,6,6,7,8,8,8-tridécafluoro-3,7-bis(trifluorométhyl)octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-, (3R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 197.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 47.8±6.0 kJ/mol
Flash Point: 73.1±25.9 °C
Index of Refraction: 1.289
Molar Refractivity: 52.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.82
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 37.71
ACD/KOC (pH 5.5): 40.64
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 36.33
ACD/KOC (pH 7.4): 39.15
Polar Surface Area: 37 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 16.4±3.0 dyne/cm
Molar Volume: 292.2±3.0 cm3

Click to predict properties on the Chemicalize site


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