Chemical Properties of 1,4-Benzenedicarbonitrile (CAS 623-26-7)

1,4-Benzenedicarbonitrile

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InChI
InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H
InChI Key
BHXFKXOIODIUJO-UHFFFAOYSA-N
Formula
C8H4N2
SMILES
N#Cc1ccc(C#N)cc1
Molecular Weight1
128.13
CAS
623-26-7
Other Names
  • 1,4-Benzendikarbonitril
  • 1,4-Benzodinitrile
  • 1,4-Dicyanobenzene
  • 4-Cyanobenzonitrile
  • NSC 144977
  • NSC 78439
  • Nitril kyseliny tereftalove
  • Tereftalodinitril
  • Tereftalonitril
  • Terephthalic acid dinitrile
  • Terephthalodinitrile
  • Terephthalonitrile
  • Terephthalonitrile (di)
  • p-Benzenedinitrile
  • p-Cyanobenzonitrile
  • p-Dicyanobenzene
  • p-Pdn
  • p-Phthalodinitrile
  • p-Phthalonitrile
Sources

Physical Properties

Property Value Unit Source
PAff 779.00 kJ/mol NIST
BasG 751.80 kJ/mol NIST
Δcsolid -3988.20 ± 0.60 kJ/mol NIST
Δcsolid -3988.04 ± 0.59 kJ/mol NIST
EA 1.09 ± 0.09 eV NIST
Δf 385.62 kJ/mol Joback Calculated Property
Δfgas 358.30 ± 2.20 kJ/mol NIST
Δfgas 357.10 ± 1.90 kJ/mol NIST
Δfsolid 268.50 ± 1.20 kJ/mol NIST
Δfsolid 268.30 ± 1.20 kJ/mol NIST
Δfus 13.14 kJ/mol Joback Calculated Property
Δsub [88.80; 89.80] kJ/mol Show Hide
Δsub 89.80 ± 1.90 kJ/mol NIST
Δsub 89.80 kJ/mol NIST
Δsub 89.70 ± 1.80 kJ/mol NIST
Δsub 88.80 ± 1.50 kJ/mol NIST
Δsub 88.80 kJ/mol NIST
Δsub 88.80 ± 1.50 kJ/mol NIST
Δvap 57.30 kJ/mol Joback Calculated Property
IE 10.10 eV NIST
IE 10.10 eV NIST
IE 10.10 eV NIST
logPoct/wat 1.43 Crippen Calculated Property
Pc 3380.21 kPa Joback Calculated Property
solid,1 bar 183.00 J/mol×K NIST
Tboil 618.26 K Joback Calculated Property
Tc 866.90 K Joback Calculated Property
Tfus 348.84 K Joback Calculated Property
Ttriple 450.15 ± 1.00 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 213.21 J/mol×K 618.26 Joback Calculated Property
Cp,solid 161.20 J/mol×K 298.15 NIST

Molecular Descriptors

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

Similar Compounds

Benzonitrile, 4-methyl-. 4-Cyanobenzyl radical. Benzonitrile. 1,4-Dicyanobenzene di-N-oxide. Benzonitrile, 4-formyl-. 4-(CH2Cl)-C6H4-CN. Benzonitrile, 4-ethenyl-. .ALPHA.-bromo-p-tolunitrile. Benzonitrile, N-oxide. 3,4-Dimethylbenzoic acid nitrile. Benzonitrile, 3,5-dimethyl-. Benzonitrile, 3-methyl-. 3-Cyanobenzyl radical. 2,4-Dimethylbenzonitrile. 5-Methylisophthalonitrile.

Find more compounds similar to 1,4-Benzenedicarbonitrile.

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