ChemSpider 2D Image | 4-Ethoxy-4-oxo(~2~H_4_)butanoic acid | C6H6D4O4

4-Ethoxy-4-oxo(2H4)butanoic acid

  • Molecular FormulaC6H6D4O4
  • Average mass150.166 Da
  • Monoisotopic mass150.083023 Da
  • ChemSpider ID107436175
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Ethoxy-4-oxo(2H4)butanoic acid [ACD/IUPAC Name]
4-Ethoxy-4-oxo(2H4)butansäure [German] [ACD/IUPAC Name]
Acide 4-éthoxy-4-oxo(2H4)butanoïque [French] [ACD/IUPAC Name]
Butanedioic-d4 acid, monoethyl ester [ACD/Index Name]
14341-53-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 257.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.5±6.0 kJ/mol
Flash Point: 106.2±16.1 °C
Index of Refraction: 1.441
Molar Refractivity: 33.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.68
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 125.7±3.0 cm3

Click to predict properties on the Chemicalize site






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