Chemical Properties of Benzene, 1-chloro-4-ethynyl- (CAS 873-73-4)

Benzene, 1-chloro-4-ethynyl-

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InChI
InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChI Key
LFZJRTMTKGYJRS-UHFFFAOYSA-N
Formula
C8H5Cl
SMILES
C#Cc1ccc(Cl)cc1
Molecular Weight1
136.58
CAS
873-73-4
Other Names
  • (4-Chlorophenyl)acetylene
  • (p-Chlorophenyl)acetylene
  • 1-Chloro-4-ethynylbenzene
  • p-Ethynylchlorobenzene
Sources

Physical Properties

Property Value Unit Source
PAff 832.40 kJ/mol NIST
BasG 801.70 kJ/mol NIST
Δf 330.40 kJ/mol Joback Calculated Property
Δfgas 292.77 kJ/mol Joback Calculated Property
Δfus 17.30 kJ/mol Joback Calculated Property
Δvap 40.58 kJ/mol Joback Calculated Property
IE 8.60 eV NIST
IE 8.75 eV NIST
logPoct/wat 2.32 Crippen Calculated Property
Pc 4114.41 kPa Joback Calculated Property
Tboil 441.65 K Joback Calculated Property
Tc 677.32 K Joback Calculated Property
Tfus 295.75 K Joback Calculated Property
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 173.63 J/mol×K 441.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzene, 1-chloro-4-methyl-. Phenylethyne. Benzene, 1-chloro-4-ethyl-. 4-Chlorobenzyl mercaptan. Benzaldehyde, 4-chloro-. Benzene, 1-ethynyl-4-methyl-. Benzenemethanamine, 4-chloro-. Benzene, 1-chloro-4-(chloromethyl)-. 4-Chlorobenzoic acid nitrile. Benzene, 1-chloro-4-ethenyl-. 1,4-BIS(ETHYNYL)BENZENE. 4-Chlorobenzyl bromide. 4-Chlorobenzyl alcohol. Benzene, 1-chloro-3-methyl-. chlorotoluene.

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