Chemical Properties of Diethylmalonic acid, 4-cyanophenyl isobutyl ester

Diethylmalonic acid, 4-cyanophenyl isobutyl ester

InChI
InChI=1S/C18H23NO4/c1-5-18(6-2,16(20)22-12-13(3)4)17(21)23-15-9-7-14(11-19)8-10-15/h7-10,13H,5-6,12H2,1-4H3
InChI Key
YDPZPDZPWONJBS-UHFFFAOYSA-N
Formula
C18H23NO4
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccc(C#N)cc1
Molecular Weight1
317.38
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Physical Properties

Property Value Unit Source
ΔfusH° 35.34 kJ/mol Joback Calculated Property
logPoct/wat 3.469 Crippen Calculated Property
McVol 256.980 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 formation at standard conditions, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [777.26; 837.56] J/mol×K [857.95; 1075.86] Show Hide
Cp,gas 777.26 J/mol×K 857.95 Joback Calculated Property
Cp,gas 790.19 J/mol×K 894.27 Joback Calculated Property
Cp,gas 801.92 J/mol×K 930.59 Joback Calculated Property
Cp,gas 812.47 J/mol×K 966.90 Joback Calculated Property
Cp,gas 821.89 J/mol×K 1003.22 Joback Calculated Property
Cp,gas 830.24 J/mol×K 1039.54 Joback Calculated Property
Cp,gas 837.56 J/mol×K 1075.86 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-cyanophenyl propyl ester. Diethylmalonic acid, butyl 4-cyanophenyl ester. Diethylmalonic acid, 4-cyanophenyl pentyl ester. Diethylmalonic acid, 4-cyanophenyl hexyl ester. Diethylmalonic acid, 4-cyanophenyl octyl ester. Diethylmalonic acid, 4-cyanophenyl undecyl ester. Diethylmalonic acid, 4-cyanophenyl nonyl ester. Diethylmalonic acid, 4-cyanophenyl heptyl ester. Diethylmalonic acid, 4-cyanophenyl decyl ester. Diethylmalonic acid, 4-cyanophenyl ethyl ester. Diethylmalonic acid, isobutyl 4-methoxyphenyl ester. Diethylmalonic acid, 4-bromophenyl isobutyl ester. Diethylmalonic acid, 4-acetylphenyl isobutyl ester. Diethylmalonic acid, 4-chlorophenyl isobutyl ester. Diethylmalonic acid, isobutyl 3-methylphenyl ester.

Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl isobutyl ester.

Sources

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