ChemSpider 2D Image | Ethyl (3-ethoxy-4,5-difluorophenyl)(oxo)acetate | C12H12F2O4

Ethyl (3-ethoxy-4,5-difluorophenyl)(oxo)acetate

  • Molecular FormulaC12H12F2O4
  • Average mass258.218 Da
  • Monoisotopic mass258.070374 Da
  • ChemSpider ID35330864

More details:

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

(3-Éthoxy-4,5-difluorophényl)(oxo)acétate d'éthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-ethoxy-4,5-difluoro-α-oxo-, ethyl ester [ACD/Index Name]
Ethyl (3-ethoxy-4,5-difluorophenyl)(oxo)acetate [ACD/IUPAC Name]
Ethyl-(3-ethoxy-4,5-difluorphenyl)(oxo)acetat [German] [ACD/IUPAC Name]
1443324-49-9 [RN]
atoms 18 bonds 18
Ethyl 2-(3-ethoxy-4,5-difluorophenyl)-2-oxoacetate
Ethyl 4,5-difluoro-3-ethoxybenzoylformate
MFCD18375495

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

Density: 1.3±0.1 g/cm3
Boiling Point: 346.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 157.7±22.8 °C
Index of Refraction: 1.480
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.53
ACD/KOC (pH 5.5): 552.03
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.53
ACD/KOC (pH 7.4): 552.03
Polar Surface Area: 53 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 206.4±3.0 cm3

Click to predict properties on the Chemicalize site


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