ChemSpider 2D Image | Ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate | C13H15NO6

Ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate

  • Molecular FormulaC13H15NO6
  • Average mass281.261 Da
  • Monoisotopic mass281.089935 Da
  • ChemSpider ID26546879

More details:






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

4-(2-Éthoxy-2-oxoéthyl)-3-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
4-ethoxycarbonylmethyl-3-nitro-benzoic acid ethyl ester
891782-57-3 [RN]
Benzeneacetic acid, 4-(ethoxycarbonyl)-2-nitro-, ethyl ester [ACD/Index Name]
Ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate [ACD/IUPAC Name]
Ethyl-4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoat [German] [ACD/IUPAC Name]
4-ethoxycarbonylmethyl-3-nitrobenzoic acid ethyl ester
BENZENEACETIC ACID,4-(ETHOXYCARBONYL)-2-NITRO-, ETHYL ESTER
MFCD08437616

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 394.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 162.9±27.1 °C
Index of Refraction: 1.533
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.11
ACD/KOC (pH 5.5): 629.63
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 57.11
ACD/KOC (pH 7.4): 629.63
Polar Surface Area: 98 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 225.0±3.0 cm3

Click to predict properties on the Chemicalize site






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