Chemical Properties of 3-Toluoylacetonitrile (CAS 53882-81-8)

3-Toluoylacetonitrile

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

InChI
InChI=1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3
InChI Key
IVLKDYOTZMFMLO-UHFFFAOYSA-N
Formula
C10H9NO
SMILES
Cc1cccc(C(=O)CC#N)c1
Molecular Weight1
159.18
CAS
53882-81-8

Physical Properties

Property Value Unit Source
Δf 140.36 kJ/mol Joback Calculated Property
Δfgas 27.63 kJ/mol Joback Calculated Property
Δfus 18.41 kJ/mol Joback Calculated Property
Δvap 58.02 kJ/mol Joback Calculated Property
log10WS -2.89 Crippen Calculated Property
logPoct/wat 2.091 Crippen Calculated Property
McVol 130.950 ml/mol McGowan Calculated Property
Pc 3005.73 kPa Joback Calculated Property
Tboil 615.81 K Joback Calculated Property
Tc 847.63 K Joback Calculated Property
Tfus 356.32 K Joback Calculated Property
Vc 0.519 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [300.20; 355.11] J/mol×K [615.81; 847.63] Show Hide
Cp,gas 300.20 J/mol×K 615.81 Joback Calculated Property
Cp,gas 311.13 J/mol×K 654.45 Joback Calculated Property
Cp,gas 321.30 J/mol×K 693.08 Joback Calculated Property
Cp,gas 330.75 J/mol×K 731.72 Joback Calculated Property
Cp,gas 339.51 J/mol×K 770.36 Joback Calculated Property
Cp,gas 347.62 J/mol×K 809.00 Joback Calculated Property
Cp,gas 355.11 J/mol×K 847.63 Joback Calculated Property

Similar Compounds

3'-methylpropiophenone. Ethanone, 1-(3-methylphenyl)-. 4-Toluoylacetonitrile. 1-(3,4-Dimethylphenyl)-1-propanone. 3-Trifluoromethylbenzoylacetonitrile. Benzenepropanenitrile, «beta»-oxo-. m-Ethylacetophenone. Ethanone, 1-(3,4-dimethylphenyl)-. 4'-Methylpropiophenone. 4-Chloro-3-methylphenacyl bromide. 4-Hydroxy-3-methylacetophenone. 3-Chlorobenzoylacetonitrile. 1-(2,3-Dimethylphenyl)ethanone. m-Trifluoromethylpropiophenone. «beta»-Phenylpropiophenone.

Find more compounds similar to 3-Toluoylacetonitrile.

Sources

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.

Login Register