Chemical Properties of Benzenepropanenitrile, «beta»-oxo- (CAS 614-16-4)

Benzenepropanenitrile, «beta»-oxo-

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InChI
InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChI Key
ZJRCIQAMTAINCB-UHFFFAOYSA-N
Formula
C9H7NO
SMILES
N#CCC(=O)c1ccccc1
Molecular Weight1
145.16
CAS
614-16-4
Other Names
  • .alpha.-cyanoacetophenone
  • .beta.-oxobenzenepropanenitrile
  • .omega.-cyanoacetophenone
  • 2-Cyanoacetyl phenone
  • 2-cyanoacetophenone
  • 3-Phenyl-3-oxopropanenitrile
  • 3-oxo-3-phenylpropanenitrile
  • 3-phenyl-3-ketopropionitrile
  • Acetonitrile, benzoyl-
  • Acetophenone, 2-cyano-
  • Cyanoacetophenone
  • Hydrocinnamonitrile, «beta»-oxo-
  • NSC 4713
  • benzenepropanenitrile, .beta.-oxo-
  • benzoylacetonitrile
  • benzoylcyanomethane
  • cyanomethyl phenyl ketone
  • phenacyl cyanide
  • «alpha»-Cyanoacetophenone
  • «omega»-Cyanoacetophenone
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Physical Properties

Property Value Unit Source
Δcsolid [-4549.70; -4519.72] kJ/mol Show Hide
Δcsolid -4519.72 ± 0.42 kJ/mol NIST
Δcsolid -4549.70 kJ/mol NIST
Δf 141.57 kJ/mol Joback Calculated Property
Δfgas 70.12 kJ/mol NIST
Δfsolid [-22.30; 7.50] kJ/mol Show Hide
Δfsolid -22.30 ± 0.42 kJ/mol NIST
Δfsolid 7.50 kJ/mol NIST
Δfus 16.21 kJ/mol Joback Calculated Property
Δsub 92.50 kJ/mol NIST
Δvap 55.13 kJ/mol Joback Calculated Property
IE 9.56 ± 0.05 eV NIST
log10WS -2.42 Crippen Calculated Property
logPoct/wat 1.783 Crippen Calculated Property
McVol 116.860 ml/mol McGowan Calculated Property
Pc 3407.89 kPa Joback Calculated Property
Tboil 587.95 K Joback Calculated Property
Tc 823.51 K Joback Calculated Property
Tfus 332.53 K Joback Calculated Property
Vc 0.464 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [255.84; 306.55] J/mol×K [587.95; 823.51] Show Hide
Cp,gas 255.84 J/mol×K 587.95 Joback Calculated Property
Cp,gas 266.07 J/mol×K 627.21 Joback Calculated Property
Cp,gas 275.54 J/mol×K 666.47 Joback Calculated Property
Cp,gas 284.28 J/mol×K 705.73 Joback Calculated Property
Cp,gas 292.34 J/mol×K 744.99 Joback Calculated Property
Cp,gas 299.75 J/mol×K 784.25 Joback Calculated Property
Cp,gas 306.55 J/mol×K 823.51 Joback Calculated Property
ΔsubH 99.80 kJ/mol 325.50 NIST
ΔvapH 98.50 kJ/mol 298.15 Thermoc...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 433.20 K 1.30 NIST

Similar Compounds

4-Chlorobenzoylacetonitrile. 1-Propanone, 1-phenyl-. Dibenzoylmethane. 3-Chlorobenzoylacetonitrile. 4-Toluoylacetonitrile. 3-Toluoylacetonitrile. «beta»-Cyanopropiophenone. 3-Trifluoromethylbenzoylacetonitrile. 1-Propanone, 3-chloro-1-phenyl-. (4-Aminobenzoyl)acetonitrile. 4-Methoxybenzoylacetonitrile. 1,4-Butanedione, 1,4-diphenyl-. 1,3-Butanedione, 1-phenyl-. 1-(2-naphthyl)propan-1-one. 1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-.

Find more compounds similar to Benzenepropanenitrile, «beta»-oxo-.

Sources

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