Chemical Properties of 3-Chlorobenzoylacetonitrile (CAS 21667-62-9)

3-Chlorobenzoylacetonitrile

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InChI
InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChI Key
IUDFNNHFARLIPF-UHFFFAOYSA-N
Formula
C9H6ClNO
SMILES
N#CCC(=O)c1cccc(Cl)c1
Molecular Weight1
179.60
CAS
21667-62-9
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Physical Properties

Property Value Unit Source
Δf 120.01 kJ/mol Joback Calculated Property
Δfgas 32.53 kJ/mol Joback Calculated Property
Δfus 20.02 kJ/mol Joback Calculated Property
Δvap 60.18 kJ/mol Joback Calculated Property
log10WS -3.10 Crippen Calculated Property
logPoct/wat 2.436 Crippen Calculated Property
McVol 129.100 ml/mol McGowan Calculated Property
Pc 3210.04 kPa Joback Calculated Property
Tboil 630.36 K Joback Calculated Property
Tc 870.27 K Joback Calculated Property
Tfus 374.97 K Joback Calculated Property
Vc 0.512 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [275.38; 320.08] J/mol×K [630.36; 870.27] Show Hide
Cp,gas 275.38 J/mol×K 630.36 Joback Calculated Property
Cp,gas 284.47 J/mol×K 670.34 Joback Calculated Property
Cp,gas 292.85 J/mol×K 710.33 Joback Calculated Property
Cp,gas 300.57 J/mol×K 750.31 Joback Calculated Property
Cp,gas 307.66 J/mol×K 790.30 Joback Calculated Property
Cp,gas 314.15 J/mol×K 830.28 Joback Calculated Property
Cp,gas 320.08 J/mol×K 870.27 Joback Calculated Property

Similar Compounds

3,4-Dichlorobenzoylacetonitrile. 4-Chlorobenzoylacetonitrile. Acetophenone, 3'-chloro-. Benzenepropanenitrile, «beta»-oxo-. 1-Propanone, 1-(4-chlorophenyl)-. Ethanone, 1-(3,4-dichlorophenyl)-. 3-Trifluoromethylbenzoylacetonitrile. 2',4'-dichloropropiophenone. 1-Propanone, 1-phenyl-. 3-Toluoylacetonitrile. Dibenzoylmethane. 4-Toluoylacetonitrile. Ethanone, 1-(2-chlorophenyl)-. Ethanone, 1-(2,5-dichlorophenyl)-. «beta»-Cyanopropiophenone.

Find more compounds similar to 3-Chlorobenzoylacetonitrile.

Sources

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