ChemSpider 2D Image | Ethyl 3-iodo-5-nitrobenzoate | C9H8INO4

Ethyl 3-iodo-5-nitrobenzoate

  • Molecular FormulaC9H8INO4
  • Average mass321.069 Da
  • Monoisotopic mass320.949799 Da
  • ChemSpider ID26520172

More details:

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

3-Iodo-5-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
850864-49-2 [RN]
Benzoic acid, 3-iodo-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl 3-iodo-5-nitrobenzoate [ACD/IUPAC Name]
Ethyl-3-iod-5-nitrobenzoat [German] [ACD/IUPAC Name]
MFCD12172967 [MDL number]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 380.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.6±23.7 °C
Index of Refraction: 1.616
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.73
ACD/KOC (pH 5.5): 1624.70
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.73
ACD/KOC (pH 7.4): 1624.70
Polar Surface Area: 72 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 177.7±3.0 cm3

Click to predict properties on the Chemicalize site


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