Chemical Properties of Alpha-cyano-2-norbornaneacetic acid, ethyl ester

Alpha-cyano-2-norbornaneacetic acid, ethyl ester

InChI
InChI=1S/C12H17NO2/c1-2-15-12(14)11(7-13)10-6-8-3-4-9(10)5-8/h8-11H,2-6H2,1H3
InChI Key
XQMXGJZFEYPEDM-UHFFFAOYSA-N
Formula
C12H17NO2
SMILES
CCOC(=O)C(C#N)C1CC2CCC1C2
Molecular Weight1
207.27
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Physical Properties

Property Value Unit Source
ΔfH°gas -334.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.43 kJ/mol Joback Calculated Property
ΔvapH° 84.68 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.125 Crippen Calculated Property
McVol 167.040 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [227.93; 591.46] 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-6.69590e+01
Coefficient B1.29542e+00
Coefficient C-8.45200e-04
Coefficient D2.08200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 227.93 J/mol×K 273.00 Calculated Property
Cp,gas 294.77 J/mol×K 353.78 Calculated Property
Cp,gas 353.45 J/mol×K 434.56 Calculated Property
Cp,gas 404.65 J/mol×K 515.33 Calculated Property
Cp,gas 449.02 J/mol×K 596.11 Calculated Property
Cp,gas 487.21 J/mol×K 676.89 Calculated Property
Cp,gas 519.90 J/mol×K 757.67 Calculated Property
Cp,gas 547.73 J/mol×K 838.44 Calculated Property
Cp,gas 571.36 J/mol×K 919.22 Calculated Property
Cp,gas 591.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester. Acetic acid, 2-cyano-2-[1-methyl-4-(1,1-dimethylethyl)cyclohexyl], ethyl ester, # 1. Acetic acid, 2-cyano-2-[1-methyl-4-(1,1-dimethylethyl)cyclohexyl], ethyl ester, # 2. Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester. 2-Ethoxycarbonyladamantane. 1,2-Cyclohexanedicarboxylic acid, diethyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl methyl ester. 1,2-Cyclohexanedicarboxylic acid, di(2-ethoxyethyl) ester. 1,2-Cyclohexanedicarboxylic acid, ethyl 2-methoxyethyl ester. [14C] GA25 16.alpha., 17-H2, 17-OH , methyl ester. Ethyl (-)-camphorcarboxylate. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl isopropyl ester. Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-.

Find more compounds similar to Alpha-cyano-2-norbornaneacetic acid, ethyl ester.

Sources

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