Chemical Properties of Benzamide, 3-nitro- (CAS 645-09-0)

Benzamide, 3-nitro-

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InChI
InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
InChI Key
KWAYEPXDGHYGRW-UHFFFAOYSA-N
Formula
C7H6N2O3
SMILES
NC(=O)c1cccc([N+](=O)[O-])c1
Molecular Weight1
166.13
CAS
645-09-0
Other Names
  • 3-Nitrobenzamide
  • Benzamide, m-nitro-
  • m-Nitrobenzamide
Sources

Physical Properties

Property Value Unit Source
PAff 854.20 kJ/mol NIST
BasG 823.20 kJ/mol NIST
Δf 83.92 kJ/mol Joback Calculated Property
Δfgas -52.30 kJ/mol Joback Calculated Property
Δfus 25.70 kJ/mol Joback Calculated Property
Δvap 68.09 kJ/mol Joback Calculated Property
IE 10.28 eV NIST
logPoct/wat 0.69 Crippen Calculated Property
Pc 4809.16 kPa Joback Calculated Property
Tboil 585.70 K NIST
Tc 933.02 K Joback Calculated Property
Tfus 484.39 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 278.75 J/mol×K 669.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-NO2 1
>C=O (nonring) 1
=CH- (ring) 4
-NH2 1

Similar Compounds

3-Nitrobenzhydrazide. 3,5-Dinitrobenzamide. M-nitrobenzoyl azide. 3-NO2-C6H4CON(CH3)2. 3-Nitrobenzoyl isothiocyanate. Benzaldehyde, 3-nitro-. Benzylamine, n-methyl-m-nitro-, hydrochloride. Benzoyl chloride, 3-nitro-. Benzoic acid, 3-nitro-. 3-Nitroacetophenone. 3-Nitro-4-methylbenzaldehyde. P-anisamide, 3-nitro-. Benzene, 1-methyl-3-nitro-. 3-NH2-C6H4CONH2. 3-Nitrobenzyl radical.

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