ChemSpider 2D Image | (3E)-3,4-Dichloro-2-oxo-3-butenal | C4H2Cl2O2

(3E)-3,4-Dichloro-2-oxo-3-butenal

  • Molecular FormulaC4H2Cl2O2
  • Average mass152.964 Da
  • Monoisotopic mass151.943192 Da
  • ChemSpider ID67175666
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-3,4-Dichlor-2-oxo-3-butenal [German] [ACD/IUPAC Name]
(3E)-3,4-Dichloro-2-oxo-3-butenal [ACD/IUPAC Name]
(3E)-3,4-Dichloro-2-oxo-3-buténal [French] [ACD/IUPAC Name]
3-Butenal, 3,4-dichloro-2-oxo-, (3E)- [ACD/Index Name]
3,4-dichlorobutene-1,2-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 171.0±40.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.7±3.0 kJ/mol
Flash Point: 63.6±27.9 °C
Index of Refraction: 1.490
Molar Refractivity: 30.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 57.29
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 57.29
Polar Surface Area: 34 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 105.2±3.0 cm3

Click to predict properties on the Chemicalize site






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