Chemical Properties of Benzeneacetonitrile, 4-nitro- (CAS 555-21-5)

Benzeneacetonitrile, 4-nitro-

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InChI Key
Molecular Weight1
Other Names
  • (p-Nitrobenzene)acetonitrile
  • (p-Nitrophenyl)acetonitrile
  • 4-Nitrobenzeneacetonitrile
  • 4-Nitrobenzyl cyanide
  • 4-Nitrobenzyl nitrile
  • 4-Nitrophenylacetonitrile
  • Acetonitrile, (p-nitrophenyl)-
  • NSC 5396
  • p-Nitro-«alpha»-tolunitrile
  • p-Nitrobenzyl cyanide

Physical Properties

Property Value Unit Source
Δf 287.99 kJ/mol Joback Calculated Property
Δfgas 170.73 kJ/mol Joback Calculated Property
Δfus 23.00 kJ/mol Joback Calculated Property
Δvap 63.41 kJ/mol Joback Calculated Property
IE 10.11 ± 0.04 eV NIST
logPoct/wat 1.66 Crippen Calculated Property
Pc 3530.46 kPa Joback Calculated Property
Tboil 668.02 K Joback Calculated Property
Tc 926.02 K Joback Calculated Property
Tfus 427.46 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 279.60 J/mol×K 668.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH2- 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2

Similar Compounds

Benzene, 1-ethyl-4-nitro-. 4-(Dicyanomethyl)nitrobenzene. C9H5N3O2. 1-Bromo-2-(4-nitrophenyl)ethane. Benzeneethanol, 4-nitro-. Benzene, 1-(1-methylethyl)-4-nitro-. 1-Nitro-4-propylbenzene. 1-tert-Butyl-4-nitrobenzene. p-Nitrobutylbenzene. Benzene, 1-nitro-4-(2-phenylethyl)-. 4,4'-Dinitrobibenzyl. Benzene, 1-methyl-4-nitro-. 4-(NO2)C6H4C(CH3)=CH2. Acetophenone, 4'-nitro-. Benzene, 1-nitro-4-(2,2,2-trichloroethyl).

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