Chemical Properties of Diethylmalonic acid, isobutyl 3-methylbenzyl ester

Diethylmalonic acid, isobutyl 3-methylbenzyl ester

InChI
InChI=1S/C19H28O4/c1-6-19(7-2,17(20)22-12-14(3)4)18(21)23-13-16-10-8-9-15(5)11-16/h8-11,14H,6-7,12-13H2,1-5H3
InChI Key
HUVUGUDXCOOVMI-UHFFFAOYSA-N
Formula
C19H28O4
SMILES
CCC(CC)(C(=O)OCc1cccc(C)c1)C(=O)OCC(C)C
Molecular Weight1
320.43
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Physical Properties

Property Value Unit Source
ΔfusH° 36.42 kJ/mol Joback Calculated Property
logPoct/wat 4.044 Crippen Calculated Property
McVol 269.690 ml/mol McGowan Calculated Property
Inp [2024.00; 2024.00]   Show Hide
Inp 2024.00 NIST
Inp 2024.00 NIST
Tboil 609.00 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy, 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 [808.30; 891.00] J/mol×K [778.75; 982.57] Show Hide
Cp,gas 808.30 J/mol×K 778.75 Joback Calculated Property
Cp,gas 825.06 J/mol×K 812.72 Joback Calculated Property
Cp,gas 840.57 J/mol×K 846.69 Joback Calculated Property
Cp,gas 854.88 J/mol×K 880.66 Joback Calculated Property
Cp,gas 868.03 J/mol×K 914.63 Joback Calculated Property
Cp,gas 880.06 J/mol×K 948.60 Joback Calculated Property
Cp,gas 891.00 J/mol×K 982.57 Joback Calculated Property
η [0.0000367; 0.0012573] Pa×s [414.91; 778.75] Show Hide
η 0.0012573 Pa×s 414.91 Joback Calculated Property
η 0.0004791 Pa×s 475.55 Joback Calculated Property
η 0.0002271 Pa×s 536.19 Joback Calculated Property
η 0.0001253 Pa×s 596.83 Joback Calculated Property
η 0.0000771 Pa×s 657.47 Joback Calculated Property
η 0.0000515 Pa×s 718.11 Joback Calculated Property
η 0.0000367 Pa×s 778.75 Joback Calculated Property

Similar Compounds

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

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

Sources

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