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

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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
Sources

Physical Properties

Property Value Unit Source
Δf 683.74 kJ/mol Joback Calculated Property
Δfgas 687.40 kJ/mol NIST
Δfus 15.70 kJ/mol Joback Calculated Property
Δsub 112.00 ± 5.40 kJ/mol NIST
Δvap 81.76 kJ/mol Joback Calculated Property
logPoct/wat 1.650 Crippen Calculated Property
Pc 2267.57 kPa Joback Calculated Property
Tboil 894.60 K Joback Calculated Property
Tc 1160.88 K Joback Calculated Property
Tfus 553.88 K Joback Calculated Property
Ttriple 533.20 ± 2.00 K NIST
Vc 0.690 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 465.34 J/mol×K 894.6 Joback Calculated Property
ΔfusH 4.54 kJ/mol 533.2 NIST
ΔsubH 111.70 ± 5.40 kJ/mol 433.0 NIST

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 2
-CN 4
>CH- (ring) 2
-CH2- (ring) 2
=CH- (ring) 2

Similar Compounds

Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«beta»,4«alpha»)-. Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«alpha»,4«alpha»)-. Cholest-6-ene. Cholest-3-ene. Cholest-3-ene, (5«alpha»)-. Helifolane (anti). 7-epi-Helifolane (syn). Bicyclo(2.2.1)hept-5-ene-2-carbonitrile, endo-. Bicyclo[2.2.1]hept-5-ene-2-carbonitrile. .GAMMA.-neoclovene. .DELTA.-neoclovene. 3a,7-Methano-3aH-cyclopentacyclooctene, 1,4,5,6,7,8,9,9a-octahydro-1,1,7-trimethyl-, [3aR-(3a«alpha»,7«alpha»,9a«beta»)]-. 17-Norkaur-15-ene, 13-methyl-, (8«beta»,13«beta»)-. Isohibaene. Hibaene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.