ChemSpider 2D Image | Ethyl 5-(1,3-benzodioxol-5-yl)-5-oxopentanoate | C14H16O5

Ethyl 5-(1,3-benzodioxol-5-yl)-5-oxopentanoate

  • Molecular FormulaC14H16O5
  • Average mass264.274 Da
  • Monoisotopic mass264.099762 Da
  • ChemSpider ID21402498

More details:

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

1,3-Benzodioxole-5-pentanoic acid, δ-oxo-, ethyl ester [ACD/Index Name]
5-(1,3-Benzodioxol-5-yl)-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
951889-28-4 [RN]
Ethyl 5-(1,3-benzodioxol-5-yl)-5-oxopentanoate [ACD/IUPAC Name]
ethyl 5-(2H-1,3-benzodioxol-5-yl)-5-oxopentanoate
Ethyl-5-(1,3-benzodioxol-5-yl)-5-oxopentanoat [German] [ACD/IUPAC Name]
Ethyl 5-(benzo[d][1,3]dioxol-5-yl)-5-oxopentanoate
Ethyl 5-[3,4-(methylenedioxy)phenyl]-5-oxovalerate
MFCD07782914 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 235.5±16.7 °C
Index of Refraction: 1.530
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.99
ACD/KOC (pH 5.5): 338.36
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.99
ACD/KOC (pH 7.4): 338.36
Polar Surface Area: 62 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 218.2±3.0 cm3

Click to predict properties on the Chemicalize site


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