Chemical Properties of Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«alpha»,4«alpha»)- (endo,endo) (CAS 114718-72-8)

Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«alpha»,4«alpha»)- (endo,endo)

InChI
InChI=1S/C10H15N/c1-7-8-2-4-9(5-3-8)10(7)6-11/h7-10H,2-5H2,1H3/t7-,8?,9?,10-/m0/s1
InChI Key
ZFLTZPJOKVUDPQ-NFTFJBJSSA-N
Formula
C10H13N
SMILES
CC1C2CCC(CC2)C1C#N
Molecular Weight1
147.22
CAS
114718-72-8
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Physical Properties

Property Value Unit Source
ΔfH°gas 133.00 kJ/mol NIST
ΔfusH° 17.37 kJ/mol Joback Calculated Property
logPoct/wat 2.582 Crippen Calculated Property
McVol 131.420 ml/mol McGowan Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [166.86; 488.07] 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-8.80500e+01
Coefficient B1.11822e+00
Coefficient C-7.26000e-04
Coefficient D1.83900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 166.86 J/mol×K 273.00 Calculated Property
Cp,gas 224.83 J/mol×K 353.78 Calculated Property
Cp,gas 275.87 J/mol×K 434.56 Calculated Property
Cp,gas 320.57 J/mol×K 515.33 Calculated Property
Cp,gas 359.51 J/mol×K 596.11 Calculated Property
Cp,gas 393.26 J/mol×K 676.89 Calculated Property
Cp,gas 422.41 J/mol×K 757.67 Calculated Property
Cp,gas 447.54 J/mol×K 838.44 Calculated Property
Cp,gas 469.23 J/mol×K 919.22 Calculated Property
Cp,gas 488.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

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«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). Exo-bicyclo[2.2.1]heptane-2-carbonitrile. Endo-bicyclo[2.2.1]heptane-2-carbonitrile. 2-Norbornanecarbonitrile. 2-Norbornaneacetonitrile, exo-. 2,28-Dimethyl-triacontyl cyanide. 1,22,26-Trimethyl-octacosyl cyanide. Heptanenitrile, 3-ethyl-. Hexanenitrile, 3-methyl-. 26-Methyl-octacosyl cyanide. 28-Methyl-triacontyl cyanide. 20,28-Dimethyl-triacontyl cyanide. 20-Methyl-triacontyl cyanide.

Find more compounds similar to Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«alpha»,4«alpha»)- (endo,endo).

Sources

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