Chemical Properties of 4-(CH2Cl)-C6H4-CN (CAS 874-86-2)

4-(CH2Cl)-C6H4-CN

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InChI
InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key
LOQLDQJTSMKBJU-UHFFFAOYSA-N
Formula
C8H6ClN
SMILES
N#Cc1ccc(CCl)cc1
Molecular Weight1
151.59
CAS
874-86-2
Other Names
  • 3-Cyanobenzylchloride
  • 4-(CH2Cl)-C6H4-CN
  • 4-(chloromethyl)benzonitrile
Sources

Physical Properties

Property Value Unit Source
PAff 812.80 kJ/mol NIST
BasG 782.10 kJ/mol NIST
Δf 240.51 kJ/mol Joback Calculated Property
Δfgas 165.75 kJ/mol Joback Calculated Property
Δfus 15.83 kJ/mol Joback Calculated Property
Δvap 51.20 kJ/mol Joback Calculated Property
logPoct/wat 2.30 Crippen Calculated Property
Pc 3333.53 kPa Joback Calculated Property
Tboil 553.61 K Joback Calculated Property
Tc 791.13 K Joback Calculated Property
Tfus 313.77 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.76 J/mol×K 553.61 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 1
-Cl 1
-CN 1
=CH- (ring) 4

Similar Compounds

Benzene, 1-(chloromethyl)-4-methyl-. Benzonitrile, 4-methyl-. 4-Cyanobenzyl radical. 1,4-Benzenedicarbonitrile. Benzene, 1,4-bis(chloromethyl)-. 1-(Dichloromethyl)-4-methylbenzene. 1,4-Bis(dichloromethyl)benzene. Benzonitrile. Benzyl chloride. 1,4-Dicyanobenzene di-N-oxide. Benzonitrile, 4-formyl-. Benzonitrile, 4-ethenyl-. Benzene, 1-chloromethyl-4-ethyl-. .ALPHA.-bromo-p-tolunitrile. Alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene.

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