Chemical Properties of Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester

Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester

InChI
InChI=1S/C15H21NO2/c1-2-18-15(17)13(8-16)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14H,2-7H2,1H3
InChI Key
NKQDZOMRNCAJHD-UHFFFAOYSA-N
Formula
C15H21NO2
SMILES
CCOC(=O)C(C#N)C1C2CC3CC(C2)CC1C3
Molecular Weight1
247.34
Other Names
  • Adamantaneacetic acid, «delta»-[2(«alpha»)]-«alpha»-cyano-, ethyl ester
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Physical Properties

Property Value Unit Source
ΔfH°gas -405.31 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.40 kJ/mol Joback Calculated Property
ΔvapH° 93.65 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.762 Crippen Calculated Property
McVol 198.450 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 [621.76; 712.38] J/mol×K [717.81; 936.54] Show Hide
Cp,gas 621.76 J/mol×K 717.81 Joback Calculated Property
Cp,gas 639.62 J/mol×K 754.26 Joback Calculated Property
Cp,gas 656.25 J/mol×K 790.72 Joback Calculated Property
Cp,gas 671.75 J/mol×K 827.17 Joback Calculated Property
Cp,gas 686.21 J/mol×K 863.63 Joback Calculated Property
Cp,gas 699.72 J/mol×K 900.08 Joback Calculated Property
Cp,gas 712.38 J/mol×K 936.54 Joback Calculated Property

Similar Compounds

Alpha-cyano-2-norbornaneacetic acid, 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. 1,2-Cyclohexanedicarboxylic acid, ethyl isopropyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl ethyl ester. tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, methyl ester. 1,2-Cyclohexanedicarboxylic acid, di(2-methoxyethyl) ester. 1,2-Cyclohexanedicarboxylic acid, diisopropyl ester. 1,2-Cyclohexanedicarboxylic acid, allyl ethyl ester.

Find more compounds similar to Tricyclo[3.3.1.13,7]decane-2-acetic acid, «alpha»-cyano-ethyl ester.

Sources

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