Chemical Properties of Benzonitrile, 4-(chloromethyl)- (CAS 874-86-2)

Benzonitrile, 4-(chloromethyl)-

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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
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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
log10WS -2.86 Crippen Calculated Property
logPoct/wat 2.297 Crippen Calculated Property
McVol 113.440 ml/mol McGowan 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 0.451 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [222.76; 269.27] J/mol×K [553.61; 791.13] Show Hide
Cp,gas 222.76 J/mol×K 553.61 Joback Calculated Property
Cp,gas 232.04 J/mol×K 593.20 Joback Calculated Property
Cp,gas 240.67 J/mol×K 632.78 Joback Calculated Property
Cp,gas 248.68 J/mol×K 672.37 Joback Calculated Property
Cp,gas 256.09 J/mol×K 711.95 Joback Calculated Property
Cp,gas 262.95 J/mol×K 751.54 Joback Calculated Property
Cp,gas 269.27 J/mol×K 791.13 Joback Calculated Property

Similar Compounds

Benzene, 1,4-bis(chloromethyl)-. [2H8]-1,4-Bis(chloromethyl)benzene. Benzene, 1-(chloromethyl)-4-methyl-. [2H9]-1-(Chloromethyl)-4-methylbenzene. Benzyl chloride. 4-Cyanobenzyl radical. Benzene, 1-(dichloromethyl)-4-methyl-. Benzonitrile, 4-methyl-. 4-(Chloromethyl)benzoyl chloride. 4-Trifluoromethylbenzyl chloride. Benzene, 1,4-bis(dichloromethyl)-. Benzene, 1-chloro-4-(chloromethyl)-. Benzene, 1-bromo-4-(chloromethyl)-. Benzene, 1-(chloromethyl)-4-fluoro-. Benzene, 1,3-bis(chloromethyl)-.

Find more compounds similar to Benzonitrile, 4-(chloromethyl)-.

Sources

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