ChemSpider 2D Image | 1,3-Benzodioxol-5-ylmethyl 3-(1,3-benzodioxol-5-yl)-2,2-dichloropropanoate | C18H14Cl2O6

1,3-Benzodioxol-5-ylmethyl 3-(1,3-benzodioxol-5-yl)-2,2-dichloropropanoate

  • Molecular FormulaC18H14Cl2O6
  • Average mass397.206 Da
  • Monoisotopic mass396.016754 Da
  • ChemSpider ID57606757

More details:

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

1,3-Benzodioxol-5-ylmethyl 3-(1,3-benzodioxol-5-yl)-2,2-dichloropropanoate [ACD/IUPAC Name]
1,3-Benzodioxol-5-ylmethyl-3-(1,3-benzodioxol-5-yl)-2,2-dichlorpropanoat [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-propanoic acid, α,α-dichloro-, 1,3-benzodioxol-5-ylmethyl ester [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-2,2-dichloropropanoate de 1,3-benzodioxol-5-ylméthyle [French] [ACD/IUPAC Name]
(2H-1,3-benzodioxol-5-yl)methyl 3-(2H-1,3-benzodioxol-5-yl)-2,2-dichloropropanoate
1309661-22-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 514.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 196.7±27.7 °C
Index of Refraction: 1.623
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 749.63
ACD/KOC (pH 5.5): 3975.71
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 749.63
ACD/KOC (pH 7.4): 3975.71
Polar Surface Area: 63 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement