Chemical Properties of Succinic acid, 2-methylpent-3-yl 4-cyanophenyl ester

Succinic acid, 2-methylpent-3-yl 4-cyanophenyl ester

InChI
InChI=1S/C17H21NO4/c1-4-15(12(2)3)22-17(20)10-9-16(19)21-14-7-5-13(11-18)6-8-14/h5-8,12,15H,4,9-10H2,1-3H3
InChI Key
DVKCZOWEXANPRY-UHFFFAOYSA-N
Formula
C17H21NO4
SMILES
CCC(OC(=O)CCC(=O)Oc1ccc(C#N)cc1)C(C)C
Molecular Weight1
303.35
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Physical Properties

Property Value Unit Source
ΔfusH° 33.47 kJ/mol Joback Calculated Property
IE 9.09 eV Relay (1.0) Calculated Property
logPoct/wat 3.222 Crippen Calculated Property
McVol 242.890 ml/mol McGowan Calculated Property
Inp [2296.00; 2296.00]   Show Hide
Inp 2296.00 NIST
Inp 2296.00 NIST
Tboil 638.61 K Relay (1.0) Calculated Property
Tfus 321.03 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 [728.88; 787.27] J/mol×K [873.80; 1092.41] Show Hide
Cp,gas 728.88 J/mol×K 873.80 Joback Calculated Property
Cp,gas 741.38 J/mol×K 910.24 Joback Calculated Property
Cp,gas 752.76 J/mol×K 946.67 Joback Calculated Property
Cp,gas 763.02 J/mol×K 983.11 Joback Calculated Property
Cp,gas 772.18 J/mol×K 1019.54 Joback Calculated Property
Cp,gas 780.26 J/mol×K 1055.98 Joback Calculated Property
Cp,gas 787.27 J/mol×K 1092.41 Joback Calculated Property

Similar Compounds

Succinic acid, 3-methylbut-2-yl 4-cyanophenyl ester. Glutaric acid, 2-methylpent-3-yl 4-cyanophenyl ester. Succinic acid, 2-methylpent-3-yl 3-methoxyphenyl ester. Succinic acid, 2-methylpent-3-yl 4-acetylphenyl ester. Succinic acid, 2-methylpent-3-yl 2-naphthyl ester. Succinic acid, 2-methylpent-3-yl 4-bromophenyl ester. Succinic acid, dec-2-yl 4-cyanophenyl ester. Succinic acid, hept-2-yl 4-cyanophenyl ester. Succinic acid, 2-methylpent-3-yl 3-fluorophenyl ester. Succinic acid, 2-fluorophenyl 2-methylpent-3-yl ester. Glutaric acid, 3-methylbut-2-yl 4-cyanophenyl ester. Succinic acid, 2-methylpent-3-yl 2-methoxyphenyl ester. Succinic acid, 3-chlorophenyl 2-methylpent-3-yl ester. Succinic acid, 2-fluorophenyl 2,4-dimethylpent-3-yl ester. Succinic acid, 2-methylpent-3-yl 4-biphenyl ester.

Find more compounds similar to Succinic acid, 2-methylpent-3-yl 4-cyanophenyl ester.

Sources

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