Chemical Properties of Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«beta»,4«alpha»)- (CAS 3008-13-7)

Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«beta»,4«alpha»)-

InChI
InChI=1S/C9H11N/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,7-9H,2,4-5H2/t7?,8?,9-/m0/s1
InChI Key
WFLYMJQGWKVLTO-HACHORDNSA-N
Formula
C9H11N
SMILES
N#CC1CC2C=CC1CC2
Molecular Weight1
133.19
CAS
3008-13-7
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Physical Properties

Property Value Unit Source
ΔfH°gas 153.00 ± 4.20 kJ/mol NIST
ΔfusH° 14.93 kJ/mol Joback Calculated Property
ΔvapH° 57.70 kJ/mol Relay (1.0) Calculated Property
IE 9.06 eV Relay (1.0) Calculated Property
logPoct/wat 2.112 Crippen Calculated Property
McVol 113.030 ml/mol McGowan Calculated Property
Pc 3107.10 kPa Joback Calculated Property
Tboil 486.18 K Relay (1.0) Calculated Property
Tc 744.49 K Relay (1.0) Calculated Property
Tfus 403.21 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [268.65; 345.62] J/mol×K [523.91; 754.50] Show Hide
Cp,gas 268.65 J/mol×K 523.91 Joback Calculated Property
Cp,gas 283.97 J/mol×K 562.34 Joback Calculated Property
Cp,gas 298.21 J/mol×K 600.77 Joback Calculated Property
Cp,gas 311.42 J/mol×K 639.21 Joback Calculated Property
Cp,gas 323.68 J/mol×K 677.64 Joback Calculated Property
Cp,gas 335.06 J/mol×K 716.07 Joback Calculated Property
Cp,gas 345.62 J/mol×K 754.50 Joback Calculated Property

Similar Compounds

Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«alpha»,4«alpha»)-. Bicyclo[2.2.1]hept-5-ene-2-carbonitrile. Bicyclo(2.2.1)hept-5-ene-2-carbonitrile, endo-. Bicyclo[2.2.2]oct-5-ene-2,2,3,3-tetracarbonitrile. 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»)-. Tricyclo[4.2.2.2(2,5)]dodec-3-ene. Bicyclo[2.2.2]oct-2-ene, 5-methyl-, (1«alpha»,4«alpha»,5«alpha»)-. Bicyclo[2.2.2]oct-2-ene, 5-methyl-, (1«alpha»,4«alpha»,5«beta»)-. Bicyclo[2.2.2]oct-2-ene, 5-(1-methylethyl)-, (1«alpha»,4«alpha»,5«beta»)-. Bicyclo[2.2.2]oct-2-ene,5-(1-methylethyl)-,(1«alpha»,4«alpha»,5«alpha»)-. Tricyclo[4.3.1.12,5]undec-3-ene, (1α,2β,5β,6α)-. Cyclohexene,3-cyclohexyl-. Bicyclo[2.2.2]oct-2-ene, 5-ethenyl-, (1«alpha»,4«alpha»,5«beta»)-. Bicyclo[2.2.2]oct-2-ene, 5-ethenyl-, (1«alpha»,4«alpha»,5«alpha»)-.

Find more compounds similar to Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1«alpha»,2«beta»,4«alpha»)-.

Sources

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