Chemical Properties of 1,3-Dicyanobenzene (CAS 626-17-5)

1,3-Dicyanobenzene

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InChI
InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChI Key
LAQPNDIUHRHNCV-UHFFFAOYSA-N
Formula
C8H4N2
SMILES
N#Cc1cccc(C#N)c1
Molecular Weight1
128.13
CAS
626-17-5
Other Names
  • 1,3-Benzenedicarbonitrile
  • Isophthalonitrile
  • m-Benzenedinitrile
  • m-Dicyanobenzene
  • 3-Cyanobenzonitrile
  • Isophthalodinitrile
  • Isoftalodinitril
  • Isophtalonitrile
  • IPN
  • Nitril kyseliny isoftalove
  • 1,3-Benzodinitrile
  • 1,3-Benzendikarbonitril
  • Dinitrile of isophthalic acid
  • Isoftalonitril
  • m-Phthalodinitrile
  • m-Cyanobenzonitrile
  • NSC 87880
  • benzene-1,3-dicarbonitrile
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Physical Properties

Property Value Unit Source
PAff 779.30 kJ/mol NIST
BasG 750.40 kJ/mol NIST
Δcsolid -3992.29 ± 0.75 kJ/mol NIST
EA 0.91 ± 0.10 eV NIST
Δf 385.62 kJ/mol Joback Calculated Property
Δfgas 362.70 ± 2.00 kJ/mol NIST
Δfsolid 272.60 ± 1.30 kJ/mol NIST
Δfus 13.14 kJ/mol Joback Calculated Property
Δsub [90.10; 90.10] kJ/mol Show Hide
Δsub 90.10 ± 1.50 kJ/mol NIST
Δsub 90.10 kJ/mol NIST
Δsub 90.10 ± 1.50 kJ/mol NIST
Δvap 57.30 kJ/mol Joback Calculated Property
IE [10.20; 10.60] eV Show Hide
IE 10.20 eV NIST
IE 10.60 eV NIST
log10WS -2.18 Crippen Calculated Property
logPoct/wat 1.430 Crippen Calculated Property
McVol 102.580 ml/mol McGowan Calculated Property
Pc 3380.21 kPa Joback Calculated Property
Tboil 618.26 K Joback Calculated Property
Tc 866.90 K Joback Calculated Property
Tfus 348.84 K Joback Calculated Property
Vc 0.427 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [213.21; 250.39] J/mol×K [618.26; 866.90] Show Hide
Cp,gas 213.21 J/mol×K 618.26 Joback Calculated Property
Cp,gas 220.77 J/mol×K 659.70 Joback Calculated Property
Cp,gas 227.75 J/mol×K 701.14 Joback Calculated Property
Cp,gas 234.16 J/mol×K 742.58 Joback Calculated Property
Cp,gas 240.06 J/mol×K 784.02 Joback Calculated Property
Cp,gas 245.45 J/mol×K 825.46 Joback Calculated Property
Cp,gas 250.39 J/mol×K 866.90 Joback Calculated Property

Similar Compounds

Benzonitrile. Benzene-1,2,4-tricarbonitrile. 1,2-Benzenedicarbonitrile. Benzonitrile, N-oxide. 3-Cyanobenzyl radical. 1,4-Benzenedicarbonitrile. Benzonitrile, 3-methyl-. m-Trifluoromethylbenzonitrile. Terephthalonitrile N,N'-dioxide. 3-Cyanobenzaldehyde. 1,2,4,5-Benzenetetracarbonitrile. 5-Methylisophthalonitrile. 2-Naphthalenecarbonitrile. Benzonitrile, 3-fluoro-. Benzonitrile, 4-bromo-.

Find more compounds similar to 1,3-Dicyanobenzene.

Sources

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