Chemical Properties of 5-Cyano-2,3,3-pentanetricarboxylic acid, triethyl ester (CAS 3228-31-7)

5-Cyano-2,3,3-pentanetricarboxylic acid, triethyl ester

InChI
InChI=1S/C15H23NO6/c1-5-20-12(17)11(4)15(9-8-10-16,13(18)21-6-2)14(19)22-7-3/h11H,5-9H2,1-4H3
InChI Key
SIMLAXQBSRSEKJ-UHFFFAOYSA-N
Formula
C15H23NO6
SMILES
CCOC(=O)C(C)C(CCC#N)(C(=O)OCC)C(=O)OCC
Molecular Weight1
313.35
CAS
3228-31-7
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Physical Properties

Property Value Unit Source
ΔfH°gas -1058.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.28 kJ/mol Joback Calculated Property
ΔvapH° 87.30 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.602 Crippen Calculated Property
McVol 245.910 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 [741.15; 799.08] J/mol×K [815.87; 1015.18] Show Hide
Cp,gas 741.15 J/mol×K 815.87 Joback Calculated Property
Cp,gas 753.50 J/mol×K 849.09 Joback Calculated Property
Cp,gas 764.75 J/mol×K 882.31 Joback Calculated Property
Cp,gas 774.92 J/mol×K 915.52 Joback Calculated Property
Cp,gas 784.03 J/mol×K 948.74 Joback Calculated Property
Cp,gas 792.07 J/mol×K 981.96 Joback Calculated Property
Cp,gas 799.08 J/mol×K 1015.18 Joback Calculated Property

Similar Compounds

Propanedioic acid, ethyl(1-ethylpropyl)-, diethyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl 2-methoxyethyl ester. 1,2-Cyclohexanedicarboxylic acid, di(2-ethoxyethyl) ester. 1,2-Cyclohexanedicarboxylic acid, diethyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 2-methoxyethyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl methyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl isopropyl ester. 1,2-Cyclohexanedicarboxylic acid, di(2-methoxyethyl) ester. 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl pentadecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl octadecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl tetradecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl nonyl ester.

Find more compounds similar to 5-Cyano-2,3,3-pentanetricarboxylic acid, triethyl ester.

Sources

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