ChemSpider 2D Image | Ethyl (2E)-2-(1,3-benzodioxol-5-ylmethylene)-4-chloro-3-oxobutanoate | C14H13ClO5

Ethyl (2E)-2-(1,3-benzodioxol-5-ylmethylene)-4-chloro-3-oxobutanoate

  • Molecular FormulaC14H13ClO5
  • Average mass296.703 Da
  • Monoisotopic mass296.045166 Da
  • ChemSpider ID30656641

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(1,3-Benzodioxol-5-ylméthylène)-4-chloro-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-(1,3-benzodioxol-5-ylmethylene)-4-chloro-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-(1,3-benzodioxol-5-ylmethylene)-4-chloro-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-(2E)-2-(1,3-benzodioxol-5-ylmethylen)-4-chlor-3-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 412.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 165.4±27.7 °C
Index of Refraction: 1.583
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.24
ACD/KOC (pH 5.5): 549.65
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.24
ACD/KOC (pH 7.4): 549.65
Polar Surface Area: 62 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 219.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement