Chemical Properties of Diethylmalonic acid, heptyl 3-methylbenzyl ester

Diethylmalonic acid, heptyl 3-methylbenzyl ester

InChI
InChI=1S/C22H34O4/c1-5-8-9-10-11-15-25-20(23)22(6-2,7-3)21(24)26-17-19-14-12-13-18(4)16-19/h12-14,16H,5-11,15,17H2,1-4H3
InChI Key
XSSQZKKXHYVWHL-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(C)c1
Molecular Weight1
362.51
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Physical Properties

Property Value Unit Source
ΔfusH° 47.71 kJ/mol Joback Calculated Property
IE 8.41 eV Relay (1.0) Calculated Property
log10WS -5.42 Relay (1.0) Calculated Property
logPoct/wat 5.358 Crippen Calculated Property
McVol 311.960 ml/mol McGowan Calculated Property
Pc 1122.31 kPa Joback Calculated Property
Inp 2348.00 NIST
Tboil 634.67 K Relay (1.0) Calculated Property
Tfus 277.07 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [983.69; 1066.80] J/mol×K [847.83; 1048.78] Show Hide
Cp,gas 983.69 J/mol×K 847.83 Joback Calculated Property
Cp,gas 1000.57 J/mol×K 881.32 Joback Calculated Property
Cp,gas 1016.17 J/mol×K 914.81 Joback Calculated Property
Cp,gas 1030.55 J/mol×K 948.30 Joback Calculated Property
Cp,gas 1043.75 J/mol×K 981.80 Joback Calculated Property
Cp,gas 1055.82 J/mol×K 1015.29 Joback Calculated Property
Cp,gas 1066.80 J/mol×K 1048.78 Joback Calculated Property
η [0.0000251; 0.0006842] Pa×s [463.72; 847.83] Show Hide
η 0.0006842 Pa×s 463.72 Joback Calculated Property
η 0.0002823 Pa×s 527.74 Joback Calculated Property
η 0.0001411 Pa×s 591.76 Joback Calculated Property
η 0.0000807 Pa×s 655.77 Joback Calculated Property
η 0.0000510 Pa×s 719.79 Joback Calculated Property
η 0.0000347 Pa×s 783.81 Joback Calculated Property
η 0.0000251 Pa×s 847.83 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 3-methylbenzyl tetradecyl ester. Diethylmalonic acid, hexadecyl 3-methylbenzyl ester. Diethylmalonic acid, heptadecyl 3-methylbenzyl ester. Diethylmalonic acid, 3-methylbenzyl octyl ester. Diethylmalonic acid, dodecyl 3-methylbenzyl ester. Diethylmalonic acid, 3-methylbenzyl octadecyl ester. Diethylmalonic acid, 3-methylbenzyl undecyl ester. Diethylmalonic acid, decyl 3-methylbenzyl ester. Diethylmalonic acid, 3-methylbenzyl tridecyl ester. Diethylmalonic acid, 3-methylbenzyl hexyl ester. Diethylmalonic acid, 3-methylbenzyl pentyl ester. Diethylmalonic acid, butyl 3-methylbenzyl ester. Diethylmalonic acid, 3-methylbenzyl propyl ester. Diethylmalonic acid, isobutyl 3-methylbenzyl ester. Diethylmalonic acid, octyl 4-trifluoromethylbenzyl ester.

Find more compounds similar to Diethylmalonic acid, heptyl 3-methylbenzyl ester.

Sources

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