ChemSpider 2D Image | Diethyl 3-oxononanedioate | C13H22O5

Diethyl 3-oxononanedioate

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID26547842

More details:






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

1,9-DIETHYL 3-OXONONANEDIOATE
1117-29-9 [RN]
3-Oxononanedioate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 3-oxononanedioate [ACD/IUPAC Name]
Diethyl-3-oxononandioat [German] [ACD/IUPAC Name]
Nonanedioic acid, 3-oxo-, diethyl ester [ACD/Index Name]
[42212-75-9] [RN]
42212-75-9 [RN]
Diethyl 2-oxoheptane-1,7-dicarboxylate
MFCD01319630 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 344.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 148.3±22.4 °C
Index of Refraction: 1.445
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.90
ACD/KOC (pH 5.5): 347.53
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.88
ACD/KOC (pH 7.4): 347.34
Polar Surface Area: 70 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 247.2±3.0 cm3

Click to predict properties on the Chemicalize site






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