ChemSpider 2D Image | Diethyl (2S)-2-isopropyl-3-oxosuccinate | C11H18O5

Diethyl (2S)-2-isopropyl-3-oxosuccinate

  • Molecular FormulaC11H18O5
  • Average mass230.258 Da
  • Monoisotopic mass230.115417 Da
  • ChemSpider ID32794253

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Isopropyl-3-oxosuccinate de diéthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(1-methylethyl)-3-oxo-, diethyl ester, (2S)- [ACD/Index Name]
Diethyl (2S)-2-isopropyl-3-oxosuccinate [ACD/IUPAC Name]
Diethyl-(2S)-2-isopropyl-3-oxosuccinat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 294.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 124.5±22.7 °C
Index of Refraction: 1.439
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.20
ACD/KOC (pH 5.5): 255.48
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.10
ACD/KOC (pH 7.4): 253.92
Polar Surface Area: 70 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 214.9±3.0 cm3

Click to predict properties on the Chemicalize site


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