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

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

InChI
InChI=1S/C21H32O4/c1-17(2)16-18(3)25-21(23)13-9-5-8-12-20(22)24-15-14-19-10-6-4-7-11-19/h4,6-7,10-11,17-18H,5,8-9,12-16H2,1-3H3
InChI Key
LEOFOFKKQGTXHN-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CC(C)CC(C)OC(=O)CCCCCC(=O)OCCc1ccccc1
Molecular Weight1
348.48
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Physical Properties

Property Value Unit Source
ΔfusH° 45.88 kJ/mol Joback Calculated Property
ΔvapH° 104.85 kJ/mol Relay (1.0) Calculated Property
IE 8.73 eV Relay (1.0) Calculated Property
logPoct/wat 4.701 Crippen Calculated Property
McVol 297.870 ml/mol McGowan Calculated Property
Pc 1208.15 kPa Joback Calculated Property
Inp [2661.00; 2661.00]   Show Hide
Inp 2661.00 NIST
Inp 2661.00 NIST
Tboil 635.63 K Relay (1.0) Calculated Property
Tfus 270.42 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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 [924.70; 1008.14] J/mol×K [822.32; 1020.45] Show Hide
Cp,gas 924.70 J/mol×K 822.32 Joback Calculated Property
Cp,gas 941.69 J/mol×K 855.34 Joback Calculated Property
Cp,gas 957.40 J/mol×K 888.36 Joback Calculated Property
Cp,gas 971.87 J/mol×K 921.38 Joback Calculated Property
Cp,gas 985.13 J/mol×K 954.40 Joback Calculated Property
Cp,gas 997.21 J/mol×K 987.42 Joback Calculated Property
Cp,gas 1008.14 J/mol×K 1020.45 Joback Calculated Property
η [0.0000307; 0.0015664] Pa×s [407.51; 822.32] Show Hide
η 0.0015664 Pa×s 407.51 Joback Calculated Property
η 0.0005057 Pa×s 476.64 Joback Calculated Property
η 0.0002174 Pa×s 545.78 Joback Calculated Property
η 0.0001130 Pa×s 614.91 Joback Calculated Property
η 0.0000671 Pa×s 684.05 Joback Calculated Property
η 0.0000438 Pa×s 753.18 Joback Calculated Property
η 0.0000307 Pa×s 822.32 Joback Calculated Property

Similar Compounds

Glutaric acid, hept-2-yl phenethyl ester. Glutaric acid, dec-2-yl phenethyl ester. Glutaric acid, 2-methylpent-3-yl phenethyl ester. Succinic acid, dec-2-yl phenethyl ester. Succinic acid, hept-2-yl phenethyl ester. Glutaric acid, 2-(4-chlorophenyl)ethyl 2-methylhex-3-yl ester. Glutaric acid, 2-(3-chlorophenyl)ethyl 2-methylhex-3-yl ester. Glutaric acid, cyclohexylmethyl phenethyl ester. Glutaric acid, 3-methylbut-2-yl phenethyl ester. Glutaric acid, 2-(4-fluorophenyl)ethyl 2-methylhex-3-yl ester. Pimelic acid, 4-methyl-2-pentyl 3-phenylpropyl ester. Glutaric acid, 2-(4-bromophenyl)ethyl 2-methylhex-3-yl ester. Glutaric acid, 2-(2-chlorophenyl)ethyl 2-methylhex-3-yl ester. Succinic acid, 4-chlorophenethyl 2-methylhex-3-yl ester. Glutaric acid, isohexyl phenethyl ester.

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

Sources

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