Chemical Properties of 1,2-Cyclobutanedicarbonitrile, trans- (CAS 3211-20-9)

1,2-Cyclobutanedicarbonitrile, trans-

InChI
InChI=1S/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2/t5-,6-/m1/s1
InChI Key
CZPLUOCTUPJSIZ-PHDIDXHHSA-N
Formula
C6H6N2
SMILES
N#CC1CCC1C#N
Molecular Weight1
106.13
CAS
3211-20-9
Other Names
  • 1,2-Cyclobutanedicarbonitrile, (E)-
  • USAF st-1
  • trans-1,2-Cyclobutanedicarbonitrile
  • trans-1,2-Dicyanocyclobutane
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Physical Properties

Property Value Unit Source
ΔfH°gas 290.25 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.41 kJ/mol Joback Calculated Property
ΔvapH° 61.75 kJ/mol Relay (1.0) Calculated Property
IE 10.24 eV Relay (1.0) Calculated Property
logPoct/wat 1.060 Crippen Calculated Property
McVol 87.300 ml/mol McGowan Calculated Property
Tboil 487.89 K Relay (1.0) Calculated Property
Tfus 382.75 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [109.45; 270.01] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.79900e+01
Coefficient B5.58200e-01
Coefficient C-3.59000e-04
Coefficient D8.88000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 109.45 J/mol×K 273.00 Calculated Property
Cp,gas 138.49 J/mol×K 353.78 Calculated Property
Cp,gas 164.07 J/mol×K 434.56 Calculated Property
Cp,gas 186.48 J/mol×K 515.33 Calculated Property
Cp,gas 206.00 J/mol×K 596.11 Calculated Property
Cp,gas 222.90 J/mol×K 676.89 Calculated Property
Cp,gas 237.48 J/mol×K 757.67 Calculated Property
Cp,gas 250.00 J/mol×K 838.44 Calculated Property
Cp,gas 260.75 J/mol×K 919.22 Calculated Property
Cp,gas 270.01 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclobutanecarbonitrile. Cyclohexanecarbonitrile. Cycloheptyl cyanide. trans-1,4-Cyclohexanedicarbonitrile. Cis-1,4-cyclohexane-dicarbonitrile. 2-Norbornanecarbonitrile. Endo-bicyclo[2.2.1]heptane-2-carbonitrile. Exo-bicyclo[2.2.1]heptane-2-carbonitrile. Hexanenitrile, 2-methyl. Pentanedinitrile, 2-methyl-. 2-ethylbutanenitrile. 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). Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«alpha»,4«alpha»)- (endo,endo).

Find more compounds similar to 1,2-Cyclobutanedicarbonitrile, trans-.

Sources

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