ChemSpider 2D Image | Diethyl 2-oxoheptanedioate | C11H18O5

Diethyl 2-oxoheptanedioate

  • Molecular FormulaC11H18O5
  • Average mass230.258 Da
  • Monoisotopic mass230.115417 Da
  • ChemSpider ID21396728

More details:

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

2-Oxoheptanedioate de diéthyle [French] [ACD/IUPAC Name]
42212-75-9 [RN]
Diethyl 2-oxoheptane-1,7-dicarboxylate
Diethyl 2-oxoheptanedioate [ACD/IUPAC Name]
Diethyl-2-oxoheptandioat [German] [ACD/IUPAC Name]
Heptanedioic acid, 2-oxo-, diethyl ester [ACD/Index Name]
MFCD01319630 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 302.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.3±3.0 kJ/mol
Flash Point: 129.1±23.2 °C
Index of Refraction: 1.441
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.01
ACD/KOC (pH 5.5): 181.07
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.01
ACD/KOC (pH 7.4): 181.07
Polar Surface Area: 70 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 214.2±3.0 cm3

Click to predict properties on the Chemicalize site


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