Chemical Properties of 3-Acetylbenzonitrile (CAS 6136-68-1)

3-Acetylbenzonitrile

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

InChI
InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChI Key
SBCFGFDAZCTSRH-UHFFFAOYSA-N
Formula
C9H7NO
SMILES
CC(=O)c1cccc(C#N)c1
Molecular Weight1
145.16
CAS
6136-68-1
Other Names
  • 1-(3-cyanophenyl)ethanone
  • 3'-Cyanoacetophenone
  • 3-CN-C6H4-COCH3
  • Benzonitrile, 3-acetyl-
  • m-acetylbenzonitrile
  • m-cyanoacetophenone
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
PAff 827.20 kJ/mol NIST
BasG 795.40 kJ/mol NIST
Δf 131.94 kJ/mol Joback Calculated Property
Δfgas 48.27 kJ/mol Joback Calculated Property
Δfus 15.82 kJ/mol Joback Calculated Property
Δvap 55.79 kJ/mol Joback Calculated Property
log10WS -2.48 Crippen Calculated Property
logPoct/wat 1.761 Crippen Calculated Property
McVol 116.860 ml/mol McGowan Calculated Property
Pc 3348.98 kPa Joback Calculated Property
Tboil 592.93 K Joback Calculated Property
Tc 829.52 K Joback Calculated Property
Tfus 345.05 K Joback Calculated Property
Vc 0.464 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [254.59; 304.42] J/mol×K [592.93; 829.52] Show Hide
Cp,gas 254.59 J/mol×K 592.93 Joback Calculated Property
Cp,gas 264.55 J/mol×K 632.36 Joback Calculated Property
Cp,gas 273.81 J/mol×K 671.79 Joback Calculated Property
Cp,gas 282.40 J/mol×K 711.22 Joback Calculated Property
Cp,gas 290.34 J/mol×K 750.65 Joback Calculated Property
Cp,gas 297.67 J/mol×K 790.09 Joback Calculated Property
Cp,gas 304.42 J/mol×K 829.52 Joback Calculated Property
ΔvapH 94.70 kJ/mol 298.15 Thermoc...

Similar Compounds

Ethanone, 1,1'-(1,3-phenylene)bis-. Acetophenone-«alpha»,«alpha»,«alpha»-d3. Acetophenone. Acetophenone, 3-trifluoroacetyl. Ethanone, 1-(3-methylphenyl)-. Benzonitrile, 4-acetyl-. 3'-(Trifluoromethyl)acetophenone. Acetophenone, 2-chloro-. 2-Naphthyl methyl ketone. Ethanone, 1,1'-(1,4-phenylene)bis-. Ethanone, 2-iodo-1-phenyl-. m-Ethylacetophenone. Ethanone, 2-bromo-1-phenyl-. Benzonitrile, 4-(bromoacetyl)-. 2-Acetylphenanthrene.

Find more compounds similar to 3-Acetylbenzonitrile.

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