Chemical Properties of Diethylmalonic acid, pentyl 3-phenoxybenzyl ester

Diethylmalonic acid, pentyl 3-phenoxybenzyl ester

InChI
InChI=1S/C25H32O5/c1-4-7-11-17-28-23(26)25(5-2,6-3)24(27)29-19-20-13-12-16-22(18-20)30-21-14-9-8-10-15-21/h8-10,12-16,18H,4-7,11,17,19H2,1-3H3
InChI Key
WGQMJCWVCDVGSC-UHFFFAOYSA-N
Formula
C25H32O5
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Oc2ccccc2)c1
Molecular Weight1
412.52
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Physical Properties

Property Value Unit Source
ΔfusH° 50.71 kJ/mol Joback Calculated Property
log10WS -5.96 Relay (1.0) Calculated Property
logPoct/wat 6.062 Crippen Calculated Property
McVol 336.340 ml/mol McGowan Calculated Property
Pc 1142.12 kPa Joback Calculated Property
Inp 2793.00 NIST
Tboil 694.72 K Relay (1.0) Calculated Property
Tfus 291.95 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 [1092.33; 1153.77] J/mol×K [965.57; 1189.57] Show Hide
Cp,gas 1092.33 J/mol×K 965.57 Joback Calculated Property
Cp,gas 1106.22 J/mol×K 1002.90 Joback Calculated Property
Cp,gas 1118.56 J/mol×K 1040.24 Joback Calculated Property
Cp,gas 1129.42 J/mol×K 1077.57 Joback Calculated Property
Cp,gas 1138.86 J/mol×K 1114.91 Joback Calculated Property
Cp,gas 1146.96 J/mol×K 1152.24 Joback Calculated Property
Cp,gas 1153.77 J/mol×K 1189.57 Joback Calculated Property
η [0.0000116; 0.0002424] Pa×s [546.18; 965.57] Show Hide
η 0.0002424 Pa×s 546.18 Joback Calculated Property
η 0.0001096 Pa×s 616.08 Joback Calculated Property
η 0.0000582 Pa×s 685.98 Joback Calculated Property
η 0.0000348 Pa×s 755.88 Joback Calculated Property
η 0.0000227 Pa×s 825.77 Joback Calculated Property
η 0.0000158 Pa×s 895.67 Joback Calculated Property
η 0.0000116 Pa×s 965.57 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, hexyl 3-phenoxybenzyl ester. Diethylmalonic acid, nonyl 3-phenoxybenzyl ester. Diethylmalonic acid, octyl 3-phenoxybenzyl ester. Diethylmalonic acid, heptyl 3-phenoxybenzyl ester. Diethylmalonic acid, butyl 3-phenoxybenzyl ester. Diethylmalonic acid, 3-phenoxybenzyl propyl ester. Diethylmalonic acid, isobutyl 3-phenoxybenzyl ester. Diethylmalonic acid, ethyl 3-phenoxybenzyl ester. Diethylmalonic acid, 4-chlorobenzyl octyl ester. Diethylmalonic acid, 4-chlorobenzyl dodecyl ester. Diethylmalonic acid, 4-chlorobenzyl tridecyl ester. Diethylmalonic acid, 4-chlorobenzyl undecyl ester. Diethylmalonic acid, 4-chlorobenzyl tetradecyl ester. Diethylmalonic acid, 4-chlorobenzyl decyl ester. Diethylmalonic acid, 4-chlorobenzyl heptyl ester.

Find more compounds similar to Diethylmalonic acid, pentyl 3-phenoxybenzyl ester.

Sources

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