ChemSpider 2D Image | (2S)-3,3,4,4,5,5,5-Heptafluoro-2-methylpentanoic acid | C6H5F7O2

(2S)-3,3,4,4,5,5,5-Heptafluoro-2-methylpentanoic acid

  • Molecular FormulaC6H5F7O2
  • Average mass242.092 Da
  • Monoisotopic mass242.017776 Da
  • ChemSpider ID97932791

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3,3,4,4,5,5,5-Heptafluor-2-methylpentansäure [German] [ACD/IUPAC Name]
(2S)-3,3,4,4,5,5,5-Heptafluoro-2-methylpentanoic acid [ACD/IUPAC Name]
Acide (2S)-3,3,4,4,5,5,5-heptafluoro-2-méthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3,3,4,4,5,5,5-heptafluoro-2-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 162.0±35.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.0±6.0 kJ/mol
Flash Point: 51.8±25.9 °C
Index of Refraction: 1.326
Molar Refractivity: 32.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.76
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 20.4±3.0 dyne/cm
Molar Volume: 160.9±3.0 cm3

Click to predict properties on the Chemicalize site


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