ChemSpider 2D Image | 2-{[(3-Oxo-2-butanyl)oxy]carbonyl}benzoate | C12H11O5

2-{[(3-Oxo-2-butanyl)oxy]carbonyl}benzoate

  • Molecular FormulaC12H11O5
  • Average mass235.213 Da
  • Monoisotopic mass235.061203 Da
  • ChemSpider ID57553150

  • Charge - Charge

More details:

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

1,2-Benzenedicarboxylic acid, mono(1-methyl-2-oxopropyl) ester, ion(1-) [ACD/Index Name]
2-{[(3-Oxo-2-butanyl)oxy]carbonyl}benzoat [German] [ACD/IUPAC Name]
2-{[(3-Oxo-2-butanyl)oxy]carbonyl}benzoate [ACD/IUPAC Name]
2-{[(3-Oxo-2-butanyl)oxy]carbonyl}benzoate [French] [ACD/IUPAC Name]
2-{[(3-Oxobutan-2-yl)oxy]carbonyl}benzoate
88341-26-8 [RN]

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

Density:
Boiling Point: 431.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 168.4±18.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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