ChemSpider 2D Image | 3-[(Carboxycarbonyl)oxy]propanoic acid | C5H6O6

3-[(Carboxycarbonyl)oxy]propanoic acid

  • Molecular FormulaC5H6O6
  • Average mass162.098 Da
  • Monoisotopic mass162.016434 Da
  • ChemSpider ID96356843

More details:

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

3-[(Carboxycarbonyl)oxy]propanoic acid [ACD/IUPAC Name]
3-[(Carboxycarbonyl)oxy]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(carboxycarbonyl)oxy]propanoïque [French] [ACD/IUPAC Name]
Ethanedioic acid, mono(2-carboxyethyl) ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 393.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 172.9±21.9 °C
Index of Refraction: 1.492
Molar Refractivity: 30.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -5.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 103.8±3.0 cm3

Click to predict properties on the Chemicalize site


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