Chemical Properties of Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile (CAS 1017-93-2)

Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile

InChI
InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(11,7-15)8-16/h1-2,9-10H,3-4H2
InChI Key
GFDRDNGZQZLSRI-UHFFFAOYSA-N
Formula
C12H8N4
SMILES
N#CC1(C#N)C2C=CC(CC2)C1(C#N)C#N
Molecular Weight1
208.22
CAS
1017-93-2
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Physical Properties

Property Value Unit Source
ΔfH°gas 687.40 kJ/mol NIST
ΔfusH° 15.70 kJ/mol Joback Calculated Property
ΔsubH° 112.00 ± 5.40 kJ/mol NIST
logPoct/wat 1.650 Crippen Calculated Property
McVol 159.440 ml/mol McGowan Calculated Property
Ttriple 533.20 ± 2.00 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [465.34; 589.54] J/mol×K [894.60; 1160.88] Show Hide
Cp,gas 465.34 J/mol×K 894.60 Joback Calculated Property
Cp,gas 480.45 J/mol×K 938.98 Joback Calculated Property
Cp,gas 497.24 J/mol×K 983.36 Joback Calculated Property
Cp,gas 516.13 J/mol×K 1027.74 Joback Calculated Property
Cp,gas 537.53 J/mol×K 1072.12 Joback Calculated Property
Cp,gas 561.86 J/mol×K 1116.50 Joback Calculated Property
Cp,gas 589.54 J/mol×K 1160.88 Joback Calculated Property
ΔfusH 4.54 kJ/mol 533.20 NIST
ΔsubH 111.70 ± 5.40 kJ/mol 433.00 NIST

Similar Compounds

Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«alpha»,4«alpha»)-. Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«beta»,4«alpha»)-. Bicyclo(2.2.1)hept-5-ene-2-carbonitrile, endo-. Bicyclo[2.2.1]hept-5-ene-2-carbonitrile. Cholest-6-ene. Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-4a-methyl-trans-. Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-4a-methyl-cis-. Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-4a-methyl-trans-. Cholest-3-ene. Cholest-3-ene, (5«alpha»)-. .gamma.-Neoclovene. 3-Cedrene. Bicyclo[2.2.1]hept-2-ene, 1,7,7-trimethyl-. Bicyclo[2.2.2]oct-2-ene, 5-ethyl-, (1«alpha»,4«alpha»,5«beta»)-. Bicyclo[2.2.2]oct-2-ene, 5-ethyl-, (1«alpha»,4«alpha»,5«alpha»)-.

Find more compounds similar to Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile.

Sources

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