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

Benzeneacetonitrile, 4-nitro-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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
  • 4-Nitrobenzeneacetonitrile
  • 4-Nitrobenzyl cyanide
  • 4-Nitrobenzyl nitrile
  • 4-Nitrophenylacetonitrile
  • Acetonitrile, (p-nitrophenyl)-
  • NSC 5396
  • p-Nitro-«alpha»-tolunitrile
  • p-Nitrobenzyl cyanide
Sources

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 1.661 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 0.483 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
=C< (ring) 2
-NO2 1
-CH2- 1
-CN 1
=CH- (ring) 4

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).

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.