Chemical Properties of 1,2-Benzenedicarbonitrile (CAS 91-15-6)

1,2-Benzenedicarbonitrile

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InChI
InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
InChI Key
XQZYPMVTSDWCCE-UHFFFAOYSA-N
Formula
C8H4N2
SMILES
N#Cc1ccccc1C#N
Molecular Weight1
128.13
CAS
91-15-6
Other Names
  • 1,2-Benzendikarbonitril
  • 1,2-Benzodinitrile
  • 1,2-Dicyanobenzene
  • Ftalodinitril
  • Ftalonitril
  • NSC 17562
  • Phthalic acid dinitrile
  • Phthalodinitrile
  • Phthalonitrile
  • USAF ND-09
  • o-Benzenedicarbonitrile
  • o-Benzenedinitrile
  • o-Cyanobenzonitrile
  • o-Dicyanobenzene
  • o-PDN
  • o-Phthalodinitrile
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Physical Properties

Property Value Unit Source
Δcsolid [-4000.36; -3994.90] kJ/mol Show Hide
Δcsolid -4000.36 ± 0.67 kJ/mol NIST
Δcsolid -3994.90 kJ/mol NIST
EA [0.95; 1.11] eV Show Hide
EA 0.95 ± 0.09 eV NIST
EA 1.11 ± 0.13 eV NIST
Δf 385.62 kJ/mol Joback Calculated Property
Δfgas [362.00; 368.30] kJ/mol Show Hide
Δfgas 368.30 kJ/mol NIST
Δfgas 367.50 ± 1.90 kJ/mol NIST
Δfgas 362.00 kJ/mol NIST
Δfsolid [275.10; 281.40] kJ/mol Show Hide
Δfsolid 281.40 ± 1.90 kJ/mol NIST
Δfsolid 280.60 ± 1.20 kJ/mol NIST
Δfsolid 275.10 kJ/mol NIST
Δfus 13.14 kJ/mol Joback Calculated Property
Δsub [86.90; 86.90] kJ/mol Show Hide
Δsub 86.90 ± 1.50 kJ/mol NIST
Δsub 86.90 kJ/mol NIST
Δsub 86.90 ± 1.50 kJ/mol NIST
Δvap 57.30 kJ/mol Joback Calculated Property
IE [9.90; 10.27] eV Show Hide
IE 9.90 eV NIST
IE 9.90 eV NIST
IE 10.27 eV NIST
IE 10.10 eV NIST
log10WS [-2.38; -2.38]   Show Hide
log10WS -2.38 Aq. Sol...
log10WS -2.38 Estimat...
logPoct/wat 1.430 Crippen Calculated Property
McVol 102.580 ml/mol McGowan Calculated Property
Pc 3380.21 kPa Joback Calculated Property
Inp [1304.00; 1304.00]   Show Hide
Inp 1304.00 NIST
Inp 1304.00 NIST
solid,1 bar [192.40; 192.40] J/mol×K Show Hide
solid,1 bar 192.40 J/mol×K NIST
solid,1 bar 192.40 J/mol×K NIST
Tboil 618.26 K Joback Calculated Property
Tc 866.90 K Joback Calculated Property
Tfus [412.92; 414.00] K Show Hide
Tfus 414.00 K NIST
Tfus 412.92 ± 0.25 K NIST
Tfus 413.05 ± 0.20 K NIST
Ttriple [414.00; 414.00] K Show Hide
Ttriple 414.00 ± 0.20 K NIST
Ttriple 414.00 ± 0.10 K NIST
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
Cp,solid [161.30; 161.30] J/mol×K [298.15; 298.15] Show Hide
Cp,solid 161.30 J/mol×K 298.15 NIST
Cp,solid 161.30 J/mol×K 298.15 NIST
ΔfusH [20.00; 20.00] kJ/mol [414.00; 414.10] Show Hide
ΔfusH 20.00 kJ/mol 414.00 NIST
ΔfusH 20.00 kJ/mol 414.00 NIST
ΔfusH 20.00 kJ/mol 414.10 NIST
ΔfusH 20.00 kJ/mol 414.10 NIST
ΔfusS [48.26; 48.26] J/mol×K [414.00; 414.00] Show Hide
ΔfusS 48.26 J/mol×K 414.00 NIST
ΔfusS 48.26 J/mol×K 414.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 424.00 ± 1.00 K 1.30 NIST

Similar Compounds

Benzene-1,2,4-tricarbonitrile. 1,3-Dicyanobenzene. Benzonitrile. «alpha»,«alpha»,«alpha»-Trifluoro-o-tolunitrile. Benzonitrile, N-oxide. Benzonitrile, 2-methyl-. 1,4-Benzenedicarbonitrile. 1,2,4,5-Benzenetetracarbonitrile. 3-Cyanobenzyl radical. 2-Cyanobenzaldehyde. Terephthalonitrile N,N'-dioxide. m-Trifluoromethylbenzonitrile. Benzonitrile, 3-methyl-. 2,5-Dimethylbenzonitrile. 2,6-Dimethylbenzonitrile.

Find more compounds similar to 1,2-Benzenedicarbonitrile.

Sources

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