ChemSpider 2D Image | (1S,4S)-1,2,2,3,3,4-Hexafluorocyclobutanecarboxylic acid | C5H2F6O2

(1S,4S)-1,2,2,3,3,4-Hexafluorocyclobutanecarboxylic acid

  • Molecular FormulaC5H2F6O2
  • Average mass208.059 Da
  • Monoisotopic mass207.995895 Da
  • ChemSpider ID61320391

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-1,2,2,3,3,4-Hexafluorcyclobutancarbonsäure [German] [ACD/IUPAC Name]
(1S,4S)-1,2,2,3,3,4-Hexafluorocyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,4S)-1,2,2,3,3,4-hexafluorocyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 1,2,2,3,3,4-hexafluoro-, (1S,4S)- [ACD/Index Name]
6702-35-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 165.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.3±6.0 kJ/mol
Flash Point: 53.9±27.3 °C
Index of Refraction: 1.343
Molar Refractivity: 25.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 22.9±5.0 dyne/cm
Molar Volume: 120.9±5.0 cm3

Click to predict properties on the Chemicalize site


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