Chemical Properties of Benzonitrile, 4-fluoro- (CAS 1194-02-1)

Benzonitrile, 4-fluoro-

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InChI
InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChI Key
AEKVBBNGWBBYLL-UHFFFAOYSA-N
Formula
C7H4FN
SMILES
N#Cc1ccc(F)cc1
Molecular Weight1
121.11
CAS
1194-02-1
Other Names
  • 4-Fluorobenzonitrile
  • Benzonitrile, p-fluoro-
  • p-Cyanofluorobenzene
  • p-Fluorobenzonitrile
Sources

Physical Properties

Property Value Unit Source
Δf 49.21 kJ/mol Joback Calculated Property
Δfgas 6.02 kJ/mol Joback Calculated Property
Δfus 12.12 kJ/mol Joback Calculated Property
Δvap 43.78 kJ/mol Joback Calculated Property
IE 9.99 ± 0.05 eV NIST
IE 9.74 eV NIST
logPoct/wat 1.70 Crippen Calculated Property
Pc 3699.95 kPa Joback Calculated Property
Tboil 461.00 K NIST
Tboil 461.20 K NIST
Tc 717.07 K Joback Calculated Property
Tfus 273.17 K Joback Calculated Property
Vc 0.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 169.19 J/mol×K 492.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-F 1
-CN 1
=CH- (ring) 4

Similar Compounds

Benzene, 1-fluoro-4-methyl-. Benzonitrile, 3-fluoro-. Benzonitrile, 2-fluoro-. Benzonitrile. Benzene, 1-ethenyl-4-fluoro-. 5-Fluoro-2-methylbenzonitrile. 4-FC6H4CCH. Benzaldehyde, 4-fluoro-. Benzenemethanamine, 4-fluoro-. 4-Fluorobenzyl mercaptan. P-fluoroethylbenzene. 4-Fluorobenzyl alcohol. 3-Chloro-4-fluorobenzonitrile. 1,4-Benzenedicarbonitrile. .alpha.-Bromo-4-fluorotoluene.

Find more compounds similar to Benzonitrile, 4-fluoro-.

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