ChemSpider 2D Image | (E)-1-[(2-Ethylhexyl)oxy]-2-(2,4,5-trichlorophenoxy)ethenol | C16H21Cl3O3

(E)-1-[(2-Ethylhexyl)oxy]-2-(2,4,5-trichlorophenoxy)ethenol

  • Molecular FormulaC16H21Cl3O3
  • Average mass367.695 Da
  • Monoisotopic mass366.055634 Da
  • ChemSpider ID95770065

More details:

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

(E)-1-[(2-Ethylhexyl)oxy]-2-(2,4,5-trichlorophenoxy)ethenol [ACD/IUPAC Name]
(E)-1-[(2-Éthylhexyl)oxy]-2-(2,4,5-trichlorophénoxy)éthénol [French] [ACD/IUPAC Name]
(E)-1-[(2-Ethylhexyl)oxy]-2-(2,4,5-trichlorphenoxy)ethenol [German] [ACD/IUPAC Name]
Ethenol, 1-[(2-ethylhexyl)oxy]-2-(2,4,5-trichlorophenoxy)-, (E)- [ACD/Index 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: 429.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.5±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 78485.55
ACD/KOC (pH 5.5): 110979.51
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77125.33
ACD/KOC (pH 7.4): 109056.13
Polar Surface Area: 39 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 295.5±3.0 cm3

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