ChemSpider 2D Image | Dimethyl chlorendate | C11H8Cl6O4

Dimethyl chlorendate

  • Molecular FormulaC11H8Cl6O4
  • Average mass416.897 Da
  • Monoisotopic mass413.855377 Da
  • ChemSpider ID24751856
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Dimethyl chlorendate [Wiki]
(1R,2R,3S,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ène-2,3-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, dimethyl ester, (1R,2R,3S,4S)- [ACD/Index Name]
Dimethyl (1R,2R,3S,4S)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R,2R,3S,4S)-1,4,5,6,7,7-hexachlorbicyclo[2.2.1]hept-5-en-2,3-dicarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 428.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 162.8±27.7 °C
Index of Refraction: 1.579
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2911.15
ACD/KOC (pH 5.5): 10499.58
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2911.15
ACD/KOC (pH 7.4): 10499.58
Polar Surface Area: 53 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 243.7±5.0 cm3

Click to predict properties on the Chemicalize site





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