ChemSpider 2D Image | 4,4-Bis(1,3-benzodioxol-5-yl)-3-(ethoxycarbonyl)butanoate | C21H19O8

4,4-Bis(1,3-benzodioxol-5-yl)-3-(ethoxycarbonyl)butanoate

  • Molecular FormulaC21H19O8
  • Average mass399.371 Da
  • Monoisotopic mass399.108551 Da
  • ChemSpider ID57535493

  • Charge - Charge

More details:

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

4,4-Bis(1,3-benzodioxol-5-yl)-3-(ethoxycarbonyl)butanoat [German] [ACD/IUPAC Name]
4,4-Bis(1,3-benzodioxol-5-yl)-3-(ethoxycarbonyl)butanoate [ACD/IUPAC Name]
4,4-Bis(1,3-benzodioxol-5-yl)-3-(éthoxycarbonyl)butanoate [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[bis(1,3-benzodioxol-5-yl)methyl]-, 1-ethyl ester, ion(1-) [ACD/Index Name]
22743-07-3 [RN]
3-[Bis(2H-1,3-benzodioxol-5-yl)methyl]-4-ethoxy-4-oxobutanoate

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

Density:
Boiling Point: 561.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 197.5±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 8.49
ACD/KOC (pH 5.5): 72.04
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 103 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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