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

Benzeneacetonitrile, 4-nitro-

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InChI
InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChI Key
PXNJGLAVKOXITN-UHFFFAOYSA-N
Formula
C8H6N2O2
SMILES
N#CCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
162.15
CAS
555-21-5
Other Names
  • (p-Nitrobenzene)acetonitrile
  • (p-Nitrophenyl)acetonitrile
  • 2-(4-nitrophenyl)acetonitrile
  • 4-Nitrobenzeneacetonitrile
  • 4-Nitrobenzyl cyanide
  • 4-Nitrobenzyl nitrile
  • 4-Nitrophenylacetonitrile
  • Acetonitrile, (p-nitrophenyl)-
  • NSC 5396
  • p-Nitro-«alpha»-tolunitrile
  • p-Nitrobenzyl cyanide
  • p-nitrophenylacetonitrile
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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
log10WS -2.79 Crippen Calculated Property
logPoct/wat 1.661 Crippen Calculated Property
McVol 118.620 ml/mol McGowan 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 0.483 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [279.60; 324.47] J/mol×K [668.02; 926.02] Show Hide
Cp,gas 279.60 J/mol×K 668.02 Joback Calculated Property
Cp,gas 288.90 J/mol×K 711.02 Joback Calculated Property
Cp,gas 297.41 J/mol×K 754.02 Joback Calculated Property
Cp,gas 305.17 J/mol×K 797.02 Joback Calculated Property
Cp,gas 312.24 J/mol×K 840.02 Joback Calculated Property
Cp,gas 318.66 J/mol×K 883.02 Joback Calculated Property
Cp,gas 324.47 J/mol×K 926.02 Joback Calculated Property

Similar Compounds

4-(Dicyanomethyl)nitrobenzene. C9H5N3O2. Benzene, 1-ethyl-4-nitro-. Benzene, 1-nitro-4-(2,2,2-trichloroethyl). Benzene, 1-(2-bromoethyl)-4-nitro-. Benzeneacetonitrile, 3-nitro-. 4,4'-Dinitrobibenzyl. Methyl 4-nitrophenylacetate. 4-Nitrophenylacetone. 4-Aminobenzyl cyanide. Benzene, 1-methyl-4-nitro-. Benzeneethanol, 4-nitro-. Benzene, 1-(1-methylethyl)-4-nitro-. Benzene, 1-nitro-4-(2-phenylethyl)-. 1-Nitro-4-propylbenzene.

Find more compounds similar to Benzeneacetonitrile, 4-nitro-.

Mixtures

Sources

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