Chemical Properties of Benzamide, 4-nitro- (CAS 619-80-7)

Benzamide, 4-nitro-

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InChI
InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
InChI Key
ZESWUEBPRPGMTP-UHFFFAOYSA-N
Formula
C7H6N2O3
SMILES
NC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
166.13
CAS
619-80-7
Other Names
  • 4-Nitrobenzamide
  • Benzamide, p-nitro-
  • p-Nitrobenzamide
Sources

Physical Properties

Property Value Unit Source
PAff 845.30 kJ/mol NIST
BasG 814.40 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 10.33 eV NIST
logPoct/wat 0.69 Crippen Calculated Property
Pc 4809.16 kPa Joback Calculated Property
Tboil 669.46 K Joback Calculated Property
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

P-nitrobenzhydrazide. Benzaldehyde, 4-nitro-. 4-Nitrobenzoyl isothiocyanate. N-(2-cyanoethyl)-4-nitrobenzamide. 4-Nitrobenzoyl urea. 1-(P-nitro benzoyl) semicarbazide. Benzamide, n-(cyanomethyl)-n-methyl-4-nitro-. Acetophenone, 4'-nitro-. 4-Nitrobenzoic acid chloride. Benzoic acid, 4-nitro-. Benzene, 1-methyl-4-nitro-. Benzamide, 4-amino-. Aklomide. p-Nitrophenacyl bromide. 4-NITROBENZOPHENONE.

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