Chemical Properties of Succinic acid, 4-cyanophenyl 2-methylbutyl ester

Succinic acid, 4-cyanophenyl 2-methylbutyl ester

InChI
InChI=1S/C16H19NO4/c1-3-12(2)11-20-15(18)8-9-16(19)21-14-6-4-13(10-17)5-7-14/h4-7,12H,3,8-9,11H2,1-2H3
InChI Key
QZLRLNKXMXTHOG-UHFFFAOYSA-N
Formula
C16H19NO4
SMILES
CCC(C)COC(=O)CCC(=O)Oc1ccc(C#N)cc1
Molecular Weight1
289.33
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Physical Properties

Property Value Unit Source
ΔfusH° 37.57 kJ/mol Joback Calculated Property
IE 9.13 eV Relay (1.0) Calculated Property
logPoct/wat 2.833 Crippen Calculated Property
McVol 228.800 ml/mol McGowan Calculated Property
Inp [2271.00; 2271.00]   Show Hide
Inp 2271.00 NIST
Inp 2271.00 NIST
Tboil 635.28 K Relay (1.0) Calculated Property
Tfus 302.78 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [663.95; 721.99] J/mol×K [815.42; 1028.60] Show Hide
Cp,gas 663.95 J/mol×K 815.42 Joback Calculated Property
Cp,gas 676.37 J/mol×K 850.95 Joback Calculated Property
Cp,gas 687.67 J/mol×K 886.48 Joback Calculated Property
Cp,gas 697.87 J/mol×K 922.01 Joback Calculated Property
Cp,gas 706.97 J/mol×K 957.54 Joback Calculated Property
Cp,gas 715.01 J/mol×K 993.07 Joback Calculated Property
Cp,gas 721.99 J/mol×K 1028.60 Joback Calculated Property

Similar Compounds

Succinic acid, 2-ethylhexyl 4-cyanophenyl ester. Succinic acid, cyclohexylmethyl 4-cyanophenyl ester. Succinic acid, phenyl 2-methylbutyl ester. Glutaric acid, 2-ethylhexyl 4-cyanophenyl ester. Succinic acid, 3-methylbut-2-yl 4-cyanophenyl ester. Succinic acid, 4-isopropylphenyl 2-methylbutyl ester. Succinic acid, 2-fluorophenyl 2-methylbutyl ester. Glutaric acid, cyclohexylmethyl 4-cyanophenyl ester. Sebacic acid, 4-cyanophenyl isobutyl ester. Succinic acid, 3,4-dimethylphenyl 2-methylbutyl ester. Glutaric acid, 4-cyanophenyl isobutyl ester. Succinic acid, 2-methylpent-3-yl 4-cyanophenyl ester. Succinic acid, 2-ethylhexyl 4-acetylphenyl ester. Sebacic acid, 4-cyanophenyl isohexyl ester. Succinic acid, 3-chlorophenyl 2-methylbutyl ester.

Find more compounds similar to Succinic acid, 4-cyanophenyl 2-methylbutyl ester.

Sources

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