Chemical Properties of 2-(Trifluoromethyl)phenyl acetonitrile (CAS 3038-47-9)

2-(Trifluoromethyl)phenyl acetonitrile

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InChI
InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChI Key
QXDCZSJGEUSERL-UHFFFAOYSA-N
Formula
C9H6F3N
SMILES
N#CCc1ccccc1C(F)(F)F
Molecular Weight1
185.15
CAS
3038-47-9
Other Names
  • o-Trifluoromethylphenylacetonitrile
  • Benzeneacetonitrile, 2-(trifluoromethyl)-
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Physical Properties

Property Value Unit Source
Δf -320.73 kJ/mol Joback Calculated Property
Δfgas -436.23 kJ/mol Joback Calculated Property
Δfus 16.05 kJ/mol Joback Calculated Property
Δvap 45.30 kJ/mol Joback Calculated Property
log10WS -3.24 Crippen Calculated Property
logPoct/wat 2.771 Crippen Calculated Property
McVol 120.600 ml/mol McGowan Calculated Property
Pc 2749.78 kPa Joback Calculated Property
Tboil 533.64 K Joback Calculated Property
Tc 742.11 K Joback Calculated Property
Tfus 299.31 K Joback Calculated Property
Vc 0.500 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [272.20; 323.45] J/mol×K [533.64; 742.11] Show Hide
Cp,gas 272.20 J/mol×K 533.64 Joback Calculated Property
Cp,gas 282.50 J/mol×K 568.38 Joback Calculated Property
Cp,gas 292.03 J/mol×K 603.13 Joback Calculated Property
Cp,gas 300.84 J/mol×K 637.87 Joback Calculated Property
Cp,gas 308.99 J/mol×K 672.62 Joback Calculated Property
Cp,gas 316.51 J/mol×K 707.36 Joback Calculated Property
Cp,gas 323.45 J/mol×K 742.11 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 365.00 K 1.50 NIST

Similar Compounds

2-Methylbenzyl cyanide. o-Tolunitrile, «alpha»-cyano-. 1,2-Benzenediacetonitrile. Benzeneacetonitrile, 3-(trifluoromethyl)-. 2,4-Dimethylphenylacetonitrile. 2,5-Dimethylbenzyl cyanide. 4-(Trifluoromethyl)phenylacetonitrile. Benzene, 1-(2-fluoroethyl)-3-trifluoromethyl. 2-Trifluoromethylbenzyl bromide. Benzene, 1-trifluoromethyl-3-(2,2,2-trifluoroethyl). Benzenemethanol, «alpha»-methyl-2-(trifluoromethyl)-. 3-Methylbenzyl cyanide. Benzene, 1-ethyl-2-methyl-. 1,3-Benzenediacetonitrile. o-Ethylbenzonitrile.

Find more compounds similar to 2-(Trifluoromethyl)phenyl acetonitrile.

Sources

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