Chemical Properties of Diethylmalonic acid, 3-ethylphenyl hexyl ester

Diethylmalonic acid, 3-ethylphenyl hexyl ester

InChI
InChI=1S/C21H32O4/c1-5-9-10-11-15-24-19(22)21(7-3,8-4)20(23)25-18-14-12-13-17(6-2)16-18/h12-14,16H,5-11,15H2,1-4H3
InChI Key
XGQYQTCLFLINMV-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(CC)c1
Molecular Weight1
348.48
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Physical Properties

Property Value Unit Source
ΔfusH° 45.12 kJ/mol Joback Calculated Property
log10WS -5.43 Relay (1.0) Calculated Property
logPoct/wat 5.084 Crippen Calculated Property
McVol 297.870 ml/mol McGowan Calculated Property
Pc 1198.13 kPa Joback Calculated Property
Inp 2226.00 NIST
Tboil 623.31 K Relay (1.0) Calculated Property
Tfus 277.92 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, Ionization energy 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 [924.28; 1007.09] J/mol×K [824.95; 1025.33] Show Hide
Cp,gas 924.28 J/mol×K 824.95 Joback Calculated Property
Cp,gas 941.05 J/mol×K 858.35 Joback Calculated Property
Cp,gas 956.57 J/mol×K 891.74 Joback Calculated Property
Cp,gas 970.89 J/mol×K 925.14 Joback Calculated Property
Cp,gas 984.06 J/mol×K 958.53 Joback Calculated Property
Cp,gas 996.11 J/mol×K 991.93 Joback Calculated Property
Cp,gas 1007.09 J/mol×K 1025.33 Joback Calculated Property
η [0.0000293; 0.0007817] Pa×s [452.45; 824.95] Show Hide
η 0.0007817 Pa×s 452.45 Joback Calculated Property
η 0.0003251 Pa×s 514.53 Joback Calculated Property
η 0.0001633 Pa×s 576.62 Joback Calculated Property
η 0.0000938 Pa×s 638.70 Joback Calculated Property
η 0.0000594 Pa×s 700.78 Joback Calculated Property
η 0.0000406 Pa×s 762.87 Joback Calculated Property
η 0.0000293 Pa×s 824.95 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 3-ethylphenyl heptyl ester. Diethylmalonic acid, 3-ethylphenyl octyl ester. Diethylmalonic acid, decyl 3-ethylphenyl ester. Diethylmalonic acid, 3-ethylphenyl pentyl ester. Diethylmalonic acid, butyl 3-ethylphenyl ester. Diethylmalonic acid, 3-ethylphenyl propyl ester. Diethylmalonic acid, 3-ethylphenyl isobutyl ester. Dimethylmalonic acid, dodecyl 3-ethylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl undecyl ester. Dimethylmalonic acid, decyl 3-ethylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl octyl ester. Dimethylmalonic acid, 3-ethylphenyl heptyl ester. Dimethylmalonic acid, 3-ethylphenyl tridecyl ester. Diethylmalonic acid, ethyl 3-ethylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl pentyl ester.

Find more compounds similar to Diethylmalonic acid, 3-ethylphenyl hexyl ester.

Sources

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