ChemSpider 2D Image | Ethyl 7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoate | C16H21NO6

Ethyl 7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoate

  • Molecular FormulaC16H21NO6
  • Average mass323.341 Da
  • Monoisotopic mass323.136902 Da
  • ChemSpider ID21402398

More details:

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

7-(4-Méthoxy-3-nitrophényl)-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-methoxy-3-nitro-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoat [German] [ACD/IUPAC Name]
898758-95-7 [RN]
Ethyl7-(4-methoxy-3-nitrophenyl)-7-oxoheptanoate
MFCD02261560 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 175.7±27.9 °C
Index of Refraction: 1.519
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.42
ACD/KOC (pH 5.5): 976.40
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.42
ACD/KOC (pH 7.4): 976.40
Polar Surface Area: 98 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 275.8±3.0 cm3

Click to predict properties on the Chemicalize site


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