Chemical Properties of Benzeneacetonitrile, 3-nitro- (CAS 621-50-1)

Benzeneacetonitrile, 3-nitro-

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InChI
InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
InChI Key
WAVKEPUFQMUGBP-UHFFFAOYSA-N
Formula
C8H6N2O2
SMILES
N#CCc1cccc([N+](=O)[O-])c1
Molecular Weight1
162.15
CAS
621-50-1
Other Names
  • Acetonitrile, (m-nitrophenyl)-
  • m-Nitro-phenylacetonitrile
  • m-Nitrobenzyl cyanide
  • 3-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
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

1-Ethyl-3-nitrobenzene. 3-Nitrobenzyl radical. Benzeneacetic acid, 3-nitro-. Benzeneethanol, 3-nitro-. Benzene, 1-methyl-3-nitro-. Methyl (3-nitrophenyl)acetate. o-nitrophenylacetonitrile. Benzeneacetonitrile, 4-nitro-. Formic acid, 2-(3-nitrophenyl)ethyl ester. Benzene, 1-(chloromethyl)-3-nitro-. Benzene, 1-(bromomethyl)-3-nitro-. Benzeneethanol, 3-nitro-, acetate (ester). 3-Aminophenylacetic acid nitrile. Benzenemethanol, 3-nitro-. Benzene, 1-nitro-3-(phenylmethyl)-.

Find more compounds similar to Benzeneacetonitrile, 3-nitro-.

Sources

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