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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [473.80; 555.33] J/mol×K [647.10; 863.00] Show Hide
Cp,gas 473.80 J/mol×K 647.10 Joback Calculated Property
Cp,gas 489.91 J/mol×K 683.08 Joback Calculated Property
Cp,gas 504.93 J/mol×K 719.07 Joback Calculated Property
Cp,gas 518.92 J/mol×K 755.05 Joback Calculated Property
Cp,gas 531.94 J/mol×K 791.03 Joback Calculated Property
Cp,gas 544.06 J/mol×K 827.01 Joback Calculated Property
Cp,gas 555.33 J/mol×K 863.00 Joback 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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