ChemSpider 2D Image | Methyl 4-(1,3-benzodioxol-5-yloxy)-3-oxopentanoate | C13H14O6

Methyl 4-(1,3-benzodioxol-5-yloxy)-3-oxopentanoate

  • Molecular FormulaC13H14O6
  • Average mass266.247 Da
  • Monoisotopic mass266.079041 Da
  • ChemSpider ID26496722

More details:

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

4-(1,3-Benzodioxol-5-yloxy)-3-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(1,3-benzodioxol-5-yloxy)-3-oxopentanoate [ACD/IUPAC Name]
Methyl-4-(1,3-benzodioxol-5-yloxy)-3-oxopentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 4-(1,3-benzodioxol-5-yloxy)-3-oxo-, methyl ester [ACD/Index Name]
1229623-65-7 [RN]
4-(Benzo[1,3]dioxol-5-yloxy)-3-oxo-pentanoic acid methyl ester
methyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-oxopentanoate
MFCD15143144 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 362.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 160.0±26.5 °C
Index of Refraction: 1.527
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.09
ACD/KOC (pH 5.5): 194.80
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.05
ACD/KOC (pH 7.4): 194.07
Polar Surface Area: 71 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 208.1±3.0 cm3

Click to predict properties on the Chemicalize site


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