ChemSpider 2D Image | (1R,2R,3R,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid | C9H4Cl6O4

(1R,2R,3R,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

  • Molecular FormulaC9H4Cl6O4
  • Average mass388.844 Da
  • Monoisotopic mass385.824066 Da
  • ChemSpider ID57643517

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3R,4S)-1,4,5,6,7,7-Hexachlorbicyclo[2.2.1]hept-5-en-2,3-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,2R,3R,4S)-1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R,3R,4S)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ène-2,3-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, (1R,2R,3R,4S)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 471.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.5±6.0 kJ/mol
Flash Point: 239.1±28.7 °C
Index of Refraction: 1.658
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 193.7±5.0 cm3

Click to predict properties on the Chemicalize site


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