Chemical Properties of Benzeneacetonitrile, 3-chloro- (CAS 1529-41-5)

Benzeneacetonitrile, 3-chloro-

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InChI
InChI=1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChI Key
GTIKLPYCSAMPNG-UHFFFAOYSA-N
Formula
C8H6ClN
SMILES
N#CCc1cccc(Cl)c1
Molecular Weight1
151.59
CAS
1529-41-5
Other Names
  • Acetonitrile, (m-chlorophenyl)-
  • (m-Chlorophenyl)acetonitrile
  • m-Chlorobenzyl cyanide
  • 3-(Chlorophenyl)acetonitrile
  • 3-Chlorobenzyl cyanide
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Physical Properties

Property Value Unit Source
Δf 240.51 kJ/mol Joback Calculated Property
Δfgas 165.75 kJ/mol Joback Calculated Property
Δfus 15.83 kJ/mol Joback Calculated Property
Δvap 51.20 kJ/mol Joback Calculated Property
IE 9.48 ± 0.05 eV NIST
log10WS -2.83 Crippen Calculated Property
logPoct/wat 2.406 Crippen Calculated Property
McVol 113.440 ml/mol McGowan Calculated Property
Pc 3333.53 kPa Joback Calculated Property
Tboil 553.61 K Joback Calculated Property
Tc 791.13 K Joback Calculated Property
Tfus 313.77 K Joback Calculated Property
Vc 0.451 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [222.76; 269.27] J/mol×K [553.61; 791.13] Show
T(K)
Ideal gas heat capacity (J/mol×K)
220
230
240
250
260
270
600
700
Cp,gas 222.76 J/mol×K 553.61 Joback Calculated Property
Cp,gas 232.04 J/mol×K 593.20 Joback Calculated Property
Cp,gas 240.67 J/mol×K 632.78 Joback Calculated Property
Cp,gas 248.68 J/mol×K 672.37 Joback Calculated Property
Cp,gas 256.09 J/mol×K 711.95 Joback Calculated Property
Cp,gas 262.95 J/mol×K 751.54 Joback Calculated Property
Cp,gas 269.27 J/mol×K 791.13 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 408.20 K 1.30 NIST

Similar Compounds

3,4-Dichlorophenylacetonitrile. Benzene, 1-chloro-3-ethyl-. 2-Chlorobenzyl cyanide. Benzeneacetonitrile, 4-chloro-. Benzene, 1-chloro-3-(2,2,2-trifluoroethyl). Benzene, 1-(2-bromoethyl)-3-chloro-. m-Chlorophenylacetic acid. Benzyl nitrile. Benzene, 1-fluoro-3-(2-fluoroethyl). Benzeneacetonitrile, 2,4-dichloro-. Benzeneethanol, 3-chloro-. Benzene, 1,2-dichloro-4-ethyl-. Phenylacetic acid, 3-chloro, methyl ester. Bibenzyl, 3-chloro-. 1,3-Benzenediacetonitrile.

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

Sources

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