ChemSpider 2D Image | (E)-{3-[(1E)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropylidene}[(2,3,5,6-tetrafluoro-4-methylbenzyl)oxy]methanol | C17H14ClF7O2

(E)-{3-[(1E)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropylidene}[(2,3,5,6-tetrafluoro-4-methylbenzyl)oxy]methanol

  • Molecular FormulaC17H14ClF7O2
  • Average mass418.734 Da
  • Monoisotopic mass418.057068 Da
  • ChemSpider ID95721089

More details:






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

(E)-{3-[(1E)-2-Chlor-3,3,3-trifluor-1-propen-1-yl]-2,2-dimethylcyclopropyliden}[(2,3,5,6-tetrafluor-4-methylbenzyl)oxy]methanol [German] [ACD/IUPAC Name]
(E)-{3-[(1E)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropylidene}[(2,3,5,6-tetrafluoro-4-methylbenzyl)oxy]methanol [ACD/IUPAC Name]
(E)-{3-[(1E)-2-Chloro-3,3,3-trifluoro-1-propén-1-yl]-2,2-diméthylcyclopropylidène}[(2,3,5,6-tétrafluoro-4-méthylbenzyl)oxy]méthanol [French] [ACD/IUPAC Name]
Methanol, 1-[3-[(1E)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropylidene]-1-[(2,3,5,6-tetrafluoro-4-methylphenyl)methoxy]-, (E)- [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: 405.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 198.7±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8930.73
ACD/KOC (pH 5.5): 23422.42
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8913.96
ACD/KOC (pH 7.4): 23378.46
Polar Surface Area: 29 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 278.2±3.0 cm3

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