Chemical Properties of Benzeneacetonitrile, «alpha»-oxo- (CAS 613-90-1)

Benzeneacetonitrile, «alpha»-oxo-

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InChI
InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
InChI Key
GJQBHOAJJGIPRH-UHFFFAOYSA-N
Formula
C8H5NO
SMILES
N#CC(=O)c1ccccc1
Molecular Weight1
131.13
CAS
613-90-1
Other Names
  • Glyoxylonitrile, phenyl-
  • «alpha»-Oxobenzeneacetonitrile
  • «alpha»-Tolunitrile, «alpha»-oxo-
  • Benzoyl cyanide
  • Benzoyl nitrile
  • Phenylglyoxylonitrile

Physical Properties

Property Value Unit Source
Δcsolid [-3936.00; -3901.50] kJ/mol Show Hide
Δcsolid -3901.50 ± 0.30 kJ/mol NIST
Δcsolid -3936.00 kJ/mol NIST
EA 1.13 ± 0.09 eV NIST
Δf 133.15 kJ/mol Joback Calculated Property
Δfgas 117.50 kJ/mol NIST
Δfsolid [38.90; 73.20] kJ/mol Show Hide
Δfsolid 38.90 ± 0.30 kJ/mol NIST
Δfsolid 73.20 kJ/mol NIST
Δfus 13.62 kJ/mol Joback Calculated Property
Δsub [78.70; 78.70] kJ/mol Show Hide
Δsub 78.70 ± 4.20 kJ/mol NIST
Δsub 78.70 kJ/mol NIST
Δvap 52.90 kJ/mol Joback Calculated Property
log10WS -2.00 Crippen Calculated Property
logPoct/wat 1.393 Crippen Calculated Property
McVol 102.770 ml/mol McGowan Calculated Property
Pc 3824.55 kPa Joback Calculated Property
Tboil 479.20 K NIST
Tc 805.54 K Joback Calculated Property
Tfus 321.26 K Joback Calculated Property
Vc 0.407 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [211.96; 256.98] J/mol×K [565.07; 805.54] Show Hide
Cp,gas 211.96 J/mol×K 565.07 Joback Calculated Property
Cp,gas 221.12 J/mol×K 605.15 Joback Calculated Property
Cp,gas 229.57 J/mol×K 645.23 Joback Calculated Property
Cp,gas 237.35 J/mol×K 685.31 Joback Calculated Property
Cp,gas 244.48 J/mol×K 725.38 Joback Calculated Property
Cp,gas 251.01 J/mol×K 765.46 Joback Calculated Property
Cp,gas 256.98 J/mol×K 805.54 Joback Calculated Property
ΔvapH 52.00 kJ/mol 399.50 NIST

Similar Compounds

Ethanone, 2,2,2-trifluoro-1-phenyl-. Acetophenone-«alpha»,«alpha»,«alpha»-d3. Acetophenone. Phenylglyoxal. Acetophenone, 2-chloro-. 2,4-Hexadiyn-1-one, 1-phenyl-. «alpha»,«alpha»-Dichloroacetophenone. Ethanone, 2-bromo-1-phenyl-. Ethanedione, diphenyl-. Acetophenone, 2,2-difluoro. Ethanone, 2-iodo-1-phenyl-. Benzoylformic acid. Ethanone, 1,1'-(1,3-phenylene)bis-. «beta»-Phenylpropiolophenone. 2-Phenylglyoxylamide.

Find more compounds similar to Benzeneacetonitrile, «alpha»-oxo-.

Sources

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