Chemical Properties of Pimelic acid, 4-methyl-2-pentyl 4-methoxybenzyl ester

Pimelic acid, 4-methyl-2-pentyl 4-methoxybenzyl ester

InChI
InChI=1S/C21H32O5/c1-16(2)14-17(3)26-21(23)9-7-5-6-8-20(22)25-15-18-10-12-19(24-4)13-11-18/h10-13,16-17H,5-9,14-15H2,1-4H3
InChI Key
OIZCZXTYKJNMHK-UHFFFAOYSA-N
Formula
C21H32O5
SMILES
COc1ccc(COC(=O)CCCCCC(=O)OC(C)CC(C)C)cc1
Molecular Weight1
364.48
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Physical Properties

Property Value Unit Source
ΔfusH° 46.68 kJ/mol Joback Calculated Property
IE 8.17 eV Relay (1.0) Calculated Property
logPoct/wat 4.667 Crippen Calculated Property
McVol 303.740 ml/mol McGowan Calculated Property
Inp 2706.00 NIST
Tboil 642.96 K Relay (1.0) Calculated Property
Tfus 290.90 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 [954.10; 1031.98] J/mol×K [849.72; 1049.94] Show Hide
Cp,gas 954.10 J/mol×K 849.72 Joback Calculated Property
Cp,gas 970.40 J/mol×K 883.09 Joback Calculated Property
Cp,gas 985.35 J/mol×K 916.46 Joback Calculated Property
Cp,gas 998.97 J/mol×K 949.83 Joback Calculated Property
Cp,gas 1011.27 J/mol×K 983.20 Joback Calculated Property
Cp,gas 1022.27 J/mol×K 1016.57 Joback Calculated Property
Cp,gas 1031.98 J/mol×K 1049.94 Joback Calculated Property
η [0.0000230; 0.0007783] Pa×s [442.26; 849.72] Show Hide
η 0.0007783 Pa×s 442.26 Joback Calculated Property
η 0.0002929 Pa×s 510.17 Joback Calculated Property
η 0.0001387 Pa×s 578.08 Joback Calculated Property
η 0.0000768 Pa×s 645.99 Joback Calculated Property
η 0.0000476 Pa×s 713.90 Joback Calculated Property
η 0.0000321 Pa×s 781.81 Joback Calculated Property
η 0.0000230 Pa×s 849.72 Joback Calculated Property

Similar Compounds

Glutaric acid, 2-methylpent-3-yl 4-methoxybenzyl ester. Glutaric acid, hept-2-yl 4-methoxybenzyl ester. Glutaric acid, dec-2-yl 4-methoxybenzyl ester. Succinic acid, dec-2-yl 4-methoxybenzyl ester. Sebacic acid, isohexyl 4-methoxybenzyl ester. Glutaric acid, 3-methylbut-2-yl 4-methoxybenzyl ester. Glutaric acid, 2-ethylhexyl 4-methoxybenzyl ester. Pimelic acid, 4-chlorobenzyl 4-methyl-2-pentyl ester. Glutaric acid, cyclohexylmethyl 4-methoxybenzyl ester. Succinic acid, 2-methylhex-3-yl 4-trifluoromethoxybenzyl ester. Glutaric acid, isohexyl 4-methoxybenzyl ester. Succinic acid, 2-ethylhexyl 4-methoxybenzyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl 4-methyl-2-pentyl ester. Glutaric acid, 3-methoxybenzyl 2-methylhex-3-yl ester. Pimelic acid, 4-methoxybenzyl pentyl ester.

Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 4-methoxybenzyl ester.

Sources

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