Chemical Properties of 3,5-Bis(trifluoromethyl)benzonitrile (CAS 27126-93-8)

3,5-Bis(trifluoromethyl)benzonitrile

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InChI
InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
InChI Key
CZKHHAOIHXHOSR-UHFFFAOYSA-N
Formula
C9H3F6N
SMILES
N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Molecular Weight1
239.12
CAS
27126-93-8
Other Names
  • 3,5-di(Trifluoromethyl)benzonitrile
  • Bis(3,5-trifluoromethyl)benzonitrile
  • Benzonitrile, 3,5-bis(trifluoromethyl)-
  • 3,5-Bis(trifluoromethyl)-1-cyanobenzene
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Physical Properties

Property Value Unit Source
EA 1.14 ± 0.09 eV NIST
Δf -911.95 kJ/mol Joback Calculated Property
Δfgas -1044.78 kJ/mol Joback Calculated Property
Δfus 17.49 kJ/mol Joback Calculated Property
Δvap 42.21 kJ/mol Joback Calculated Property
log10WS -4.03 Crippen Calculated Property
logPoct/wat 3.596 Crippen Calculated Property
McVol 125.910 ml/mol McGowan Calculated Property
Pc 2407.64 kPa Joback Calculated Property
Tboil 533.20 K Joback Calculated Property
Tc 725.09 K Joback Calculated Property
Tfus 316.02 K Joback Calculated Property
Vc 0.543 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [300.29; 345.34] J/mol×K [533.20; 725.09] Show Hide
Cp,gas 300.29 J/mol×K 533.20 Joback Calculated Property
Cp,gas 309.50 J/mol×K 565.18 Joback Calculated Property
Cp,gas 317.96 J/mol×K 597.16 Joback Calculated Property
Cp,gas 325.72 J/mol×K 629.15 Joback Calculated Property
Cp,gas 332.84 J/mol×K 661.13 Joback Calculated Property
Cp,gas 339.36 J/mol×K 693.11 Joback Calculated Property
Cp,gas 345.34 J/mol×K 725.09 Joback Calculated Property

Similar Compounds

m-Trifluoromethylbenzonitrile. 1,3,5-Tris(trifluoromethyl)benzene. 3-Fluoro-5-(trifluoromethyl)benzonitrile. Benzene, 1,3-bis(trifluoromethyl)-. 1-Ethynyl-3,5-bis(trifluoromethyl)benzene. 3,5-Bis(trifluoromethyl)bromobenzene. M-xylene, alpha,alpha,alpha,alpha',alpha',alpha',5-heptafluoro-. «alpha»,«alpha»,«alpha»-Trifluoro-o-tolunitrile. 4-Chloro-3-cyanobenzotrifluoride. C8H3F4N. 2-Fluoro-5-(trifluoromethyl)benzonitrile. «alpha»,«alpha»,«alpha»,2-Tetrafluoro-m-tolunitrile. 3,5-Bis(trifluoromethyl)benzaldehyde. Benzonitrile, 4-(trifluoromethyl)-. 3,5-Bis(trifluoromethyl)phenol.

Find more compounds similar to 3,5-Bis(trifluoromethyl)benzonitrile.

Sources

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