ChemSpider 2D Image | 2-{[(2-Ethylhexyl)oxy]carbonyl}benzoate | C16H21O4

2-{[(2-Ethylhexyl)oxy]carbonyl}benzoate

  • Molecular FormulaC16H21O4
  • Average mass277.336 Da
  • Monoisotopic mass277.144531 Da
  • ChemSpider ID10677391

  • Charge - Charge

More details:

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

1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester, ion(1-) [ACD/Index Name]
2-{[(2-Ethylhexyl)oxy]carbonyl}benzoat [German] [ACD/IUPAC Name]
2-{[(2-Ethylhexyl)oxy]carbonyl}benzoate [ACD/IUPAC Name]
2-{[(2-Éthylhexyl)oxy]carbonyl}benzoate [French] [ACD/IUPAC Name]
2-Ethylhexyl Phthalate
mono(2-ethylhexyl) phthalate anion
mono(2-ethylhexyl) phthalate(1-)
  • Miscellaneous

    • Chemical Class:

      Conjugate base of mono(2-ethylhexyl) phthalate arising from deprotonation of the free carboxy group; major species at pH 7.3. ChEBI CHEBI:58071

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

Density:
Boiling Point: 408.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 144.1±17.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 24.92
ACD/KOC (pH 5.5): 88.49
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 8.76
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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