ChemSpider 2D Image | 3-[4-(1-Carboxylatoethyl)phenyl]-2-methylpropanoate | C13H14O4

3-[4-(1-Carboxylatoethyl)phenyl]-2-methylpropanoate

  • Molecular FormulaC13H14O4
  • Average mass234.249 Da
  • Monoisotopic mass234.090302 Da
  • ChemSpider ID58170365

  • Charge - Charge

More details:

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

3-[4-(1-Carboxylatoethyl)phenyl]-2-methylpropanoat [German] [ACD/IUPAC Name]
3-[4-(1-Carboxylatoethyl)phenyl]-2-methylpropanoate [ACD/IUPAC Name]
3-[4-(1-Carboxylatoéthyl)phényl]-2-méthylpropanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-(1-carboxyethyl)-α-methyl-, ion(2-) [ACD/Index Name]
carboxyibuprofen dianion
carboxyibuprofen(2-)
  • Miscellaneous

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

Density:
Boiling Point: 416.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 219.7±19.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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