ChemSpider 2D Image | 3-[(~2~H_5_)Phenyloxy]benzyl (1R,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate | C21H15D5Cl2O3

3-[(2H5)Phenyloxy]benzyl (1R,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

  • Molecular FormulaC21H15D5Cl2O3
  • Average mass396.319 Da
  • Monoisotopic mass395.110321 Da
  • ChemSpider ID107449843

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3R)-3-(2,2-Dichlorovinyl)-2,2-diméthylcyclopropanecarboxylate de 3-[(2H5)phényloxy]benzyle [French] [ACD/IUPAC Name]
3-[(2H5)Phenyloxy]benzyl (1R,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate [ACD/IUPAC Name]
3-[(2H5)Phenyloxy]benzyl-(1R,3R)-3-(2,2-dichlorvinyl)-2,2-dimethylcyclopropancarboxylat [German] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, [3-(phenyl-d5-oxy)phenyl]methyl ester, (1R,3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 159.4±27.7 °C
Index of Refraction: 1.616
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48634.18
ACD/KOC (pH 5.5): 78794.31
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48634.18
ACD/KOC (pH 7.4): 78794.31
Polar Surface Area: 36 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 302.5±3.0 cm3

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