ChemSpider 2D Image | (5E)-7-{7,7-Difluoro-3-[(1E)-3-hydroxy-1-octen-1-yl]-2,6-dioxabicyclo[3.1.1]hept-4-yl}-5-heptenoic acid | C20H30F2O5

(5E)-7-{7,7-Difluoro-3-[(1E)-3-hydroxy-1-octen-1-yl]-2,6-dioxabicyclo[3.1.1]hept-4-yl}-5-heptenoic acid

  • Molecular FormulaC20H30F2O5
  • Average mass388.446 Da
  • Monoisotopic mass388.206116 Da
  • ChemSpider ID24995711

More details:

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

(5E)-7-{7,7-Difluor-3-[(1E)-3-hydroxy-1-octen-1-yl]-2,6-dioxabicyclo[3.1.1]hept-4-yl}-5-heptensäure [German] [ACD/IUPAC Name]
(5E)-7-{7,7-Difluoro-3-[(1E)-3-hydroxy-1-octen-1-yl]-2,6-dioxabicyclo[3.1.1]hept-4-yl}-5-heptenoic acid [ACD/IUPAC Name]
Acide (5E)-7-{7,7-difluoro-3-[(1E)-3-hydroxy-1-octén-1-yl]-2,6-dioxabicyclo[3.1.1]hept-4-yl}-5-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 253.7±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 100.38
ACD/KOC (pH 5.5): 552.70
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 8.83
Polar Surface Area: 76 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 323.9±5.0 cm3

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