Chemical Properties of N-(3-Nitrophenyl)benzoic acid amide (CAS 4771-08-8)

N-(3-Nitrophenyl)benzoic acid amide

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InChI
InChI=1S/C13H10N2O3/c16-13(10-5-2-1-3-6-10)14-11-7-4-8-12(9-11)15(17)18/h1-9H,(H,14,16)
InChI Key
WLUMOMGZPNOSOG-UHFFFAOYSA-N
Formula
C13H10N2O3
SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1
Molecular Weight1
242.23
CAS
4771-08-8
Other Names
  • 3'-Nitrobenzanilide
  • Benzamide, N-(3-nitrophenyl)-
  • N-(3-Nitrophenyl)benzoic acid amide
Sources

Physical Properties

Property Value Unit Source
Δf 269.79 kJ/mol Joback Calculated Property
Δfgas 80.07 kJ/mol Joback Calculated Property
Δfus 35.18 kJ/mol Joback Calculated Property
Δvap 79.52 kJ/mol Joback Calculated Property
IE 8.50 ± 0.10 eV NIST
logPoct/wat 2.85 Crippen Calculated Property
Pc 3337.38 kPa Joback Calculated Property
Tboil 811.06 K Joback Calculated Property
Tc 1078.56 K Joback Calculated Property
Tfus 547.83 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 481.46 J/mol×K 811.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>NH 1
=C< (ring) 3
-NO2 1
>C=O (nonring) 1
=CH- (ring) 9

Similar Compounds

Benzamide, n-(3-nitrophenyl)-4-methyl-. Benzamide, n-(3-nitrophenyl)-4-ethyl-. Benzamide, n-(3-nitrophenyl)-3-methyl-. Benzamide, n-(3-nitrophenyl)-3-fluoro-. Benzamide, n-(3-nitrophenyl)-2-methyl-. Benzamide, n-(3-nitrophenyl)-2-fluoro-. Benzamide, n-(3-nitrophenyl)-2-chloro-. Benzamide, n-(3-nitrophenyl)-3-trifluoromethyl-. Benzamide, n-(2-nitrophenyl)-. Benzamide, n-(3-chlorophenyl)-4-nitro-. N-Phenylbenzoic acid amide. Benzamide, n-(3-nitrophenyl)-2,3,4-trifluoro-. Benzamide, n-(4-aminophenyl)-. 1,2-Dibenzamido benzene. Benzamide, n-(4-methylphenyl)-.

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