Chemical Properties of Cis-1,4-cyclohexane-dicarbonitrile (CAS 6550-96-5)

Cis-1,4-cyclohexane-dicarbonitrile

InChI
InChI=1S/C8H10N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-4H2/t7-,8+
InChI Key
MGWYSXZGBRHJNE-OCAPTIKFSA-N
Formula
C8H10N2
SMILES
N#CC1CCC(C#N)CC1
Molecular Weight1
134.18
CAS
6550-96-5
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Physical Properties

Property Value Unit Source
ΔfH°gas 181.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.39 kJ/mol Joback Calculated Property
ΔvapH° 66.57 kJ/mol Relay (1.0) Calculated Property
IE 10.15 eV Relay (1.0) Calculated Property
logPoct/wat 1.840 Crippen Calculated Property
McVol 115.480 ml/mol McGowan Calculated Property
Tboil 522.75 K Relay (1.0) Calculated Property
Tfus 393.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [284.32; 349.30] J/mol×K [601.68; 841.38] Show Hide
Cp,gas 284.32 J/mol×K 601.68 Joback Calculated Property
Cp,gas 297.26 J/mol×K 641.63 Joback Calculated Property
Cp,gas 309.33 J/mol×K 681.58 Joback Calculated Property
Cp,gas 320.55 J/mol×K 721.53 Joback Calculated Property
Cp,gas 330.94 J/mol×K 761.48 Joback Calculated Property
Cp,gas 340.51 J/mol×K 801.43 Joback Calculated Property
Cp,gas 349.30 J/mol×K 841.38 Joback Calculated Property

Similar Compounds

trans-1,4-Cyclohexanedicarbonitrile. Cyclohexanecarbonitrile. Cycloheptyl cyanide. 1,22,26-Trimethyl-octacosyl cyanide. Hexanenitrile, 2-methyl. 2-Norbornanecarbonitrile. Exo-bicyclo[2.2.1]heptane-2-carbonitrile. Endo-bicyclo[2.2.1]heptane-2-carbonitrile. Heptanenitrile, 3-ethyl-. 2,28-Dimethyl-triacontyl cyanide. Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«alpha»,4«alpha»)- (endo,endo). Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«beta»,4«alpha»)- (endo,exo). Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«beta»,3«alpha»,4«alpha»)- (exo,endo). Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«beta»,3«beta»,4«alpha»)- (exo,exo). 26-Methyl-octacosyl cyanide.

Find more compounds similar to Cis-1,4-cyclohexane-dicarbonitrile.

Sources

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