Chemical Properties of o-Nitrobenzylidene-p-chlorophenylacetonitrile (CAS 104089-71-6)

o-Nitrobenzylidene-p-chlorophenylacetonitrile

InChI
InChI=1S/C15H9ClN2O2/c16-14-7-5-11(6-8-14)13(10-17)9-12-3-1-2-4-15(12)18(19)20/h1-9H/b13-9+
InChI Key
LQKLMLDWVMTZPW-UKTHLTGXSA-N
Formula
C15H9ClN2O2
SMILES
N#CC(=Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1
Molecular Weight1
284.70
CAS
104089-71-6
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Physical Properties

Property Value Unit Source
ΔfusH° 37.87 kJ/mol Joback Calculated Property
IE 8.66 eV Relay (1.0) Calculated Property
logPoct/wat 4.312 Crippen Calculated Property
McVol 201.430 ml/mol McGowan Calculated Property
Tfus 394.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [530.29; 580.00] J/mol×K [901.51; 1181.06] Show Hide
Cp,gas 530.29 J/mol×K 901.51 Joback Calculated Property
Cp,gas 540.16 J/mol×K 948.10 Joback Calculated Property
Cp,gas 549.21 J/mol×K 994.69 Joback Calculated Property
Cp,gas 557.57 J/mol×K 1041.28 Joback Calculated Property
Cp,gas 565.39 J/mol×K 1087.88 Joback Calculated Property
Cp,gas 572.82 J/mol×K 1134.47 Joback Calculated Property
Cp,gas 580.00 J/mol×K 1181.06 Joback Calculated Property

Similar Compounds

(o-Nitrobenzylidene)phenylacetonitrile. o-Nitrobenzilidene-2-naphthylacetontrile. o-Nitrobenzylidene-2-methylphenylacetonitrile. m-Nitrobenzylidene-p-chlorophenylacetonitrile. o-Nitrobenzylidene-2,5-dimethylphenylacetonitrile. o-Nitrobenzylidene-5,6,7,8-tetrahydronaphthyl-2-acetonitrile. Nitrobenzene, 3-(2-cyano-2-phenylethenyl). p-Nitrobenzylidene-p-chlorophenylacetonitrile. m-Nitrobenzilidene-2-naphthylacetonitrile. m-Nitrobenzylidene-p-isopropylphenylacetonitrile. m-Nitrobenzyliden-5,6,7,8-tetrahydronaphthyl-2-acetonitrile. m-Nitrobenzylidene-2-methylphenylacetonitrile. m-Nitrobenzylidene-2,5-dimethylphenylacetonitrile. NITROBENZENE, 4-(2-CYANO-2-PHENYLETHENYL). Sulindac, TBDMS.

Find more compounds similar to o-Nitrobenzylidene-p-chlorophenylacetonitrile.

Sources

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