Chemical Properties of 3-Chloro-4-fluorobenzonitrile (CAS 117482-84-5)

3-Chloro-4-fluorobenzonitrile

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InChI
InChI=1S/C7H3ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChI Key
VAHXXQJJZKBZDX-UHFFFAOYSA-N
Formula
C7H3ClFN
SMILES
N#Cc1ccc(F)c(Cl)c1
Molecular Weight1
155.56
CAS
117482-84-5
Sources

Physical Properties

Property Value Unit Source
Δf 27.65 kJ/mol Joback Calculated Property
Δfgas -21.19 kJ/mol Joback Calculated Property
Δfus 15.93 kJ/mol Joback Calculated Property
Δvap 48.82 kJ/mol Joback Calculated Property
logPoct/wat 2.35 Crippen Calculated Property
Pc 3476.55 kPa Joback Calculated Property
Tboil 534.98 K Joback Calculated Property
Tc 765.78 K Joback Calculated Property
Tfus 315.61 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 188.39 J/mol×K 534.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-F 1
=CH- (ring) 3
-Cl 1
=C< (ring) 3

Similar Compounds

3-Chloro-2-fluorobenzonitrile. 3-Chloro-4-fluorobenzylamine. 3-Chlorobenzoic acid nitrile. 2-Chloro-4-fluorobenzonitrile. 3-Chloro-2-fluorotoluene. 3,5-Dichlorobenzonitrile. 3,4-Dichlorobenzonitrile. 3-Chloro-4-methylbenzonitrile. Benzonitrile, 4-fluoro-. 3-Chloro-4-fluoroacetophenone. 5-Chloro-2-methylbenzonitrile. 3-Chloro-4-fluorobenzoic acid. 2,5-Dichlorobenzonitrile. 3-Chloro-2-fluorobenzyl bromide. 3-Chloro-4-fluorothiobenzamide.

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