Chemical Properties of Diglycolic acid, isobutyl 4-methoxyphenyl ester

Diglycolic acid, isobutyl 4-methoxyphenyl ester

InChI
InChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-6-4-12(18-3)5-7-13/h4-7,11H,8-10H2,1-3H3
InChI Key
YPRNQBQCGYPSII-UHFFFAOYSA-N
Formula
C15H20O6
SMILES
COc1ccc(OC(=O)COCC(=O)OCC(C)C)cc1
Molecular Weight1
296.32
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Physical Properties

Property Value Unit Source
ΔfusH° 35.85 kJ/mol Joback Calculated Property
IE 8.09 eV Relay (1.0) Calculated Property
logPoct/wat 1.816 Crippen Calculated Property
McVol 225.070 ml/mol McGowan Calculated Property
Pc 1798.51 kPa Joback Calculated Property
Inp [2673.00; 2673.00]   Show Hide
Inp 2673.00 NIST
Inp 2673.00 NIST
Tboil 630.28 K Relay (1.0) Calculated Property
Tc 817.35 K Relay (1.0) Calculated Property
Tfus 317.37 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 [638.70; 710.74] J/mol×K [735.30; 935.66] Show Hide
Cp,gas 638.70 J/mol×K 735.30 Joback Calculated Property
Cp,gas 653.41 J/mol×K 768.69 Joback Calculated Property
Cp,gas 667.06 J/mol×K 802.09 Joback Calculated Property
Cp,gas 679.64 J/mol×K 835.48 Joback Calculated Property
Cp,gas 691.11 J/mol×K 868.87 Joback Calculated Property
Cp,gas 701.49 J/mol×K 902.26 Joback Calculated Property
Cp,gas 710.74 J/mol×K 935.66 Joback Calculated Property
η [0.0000453; 0.0008685] Pa×s [411.87; 735.30] Show Hide
η 0.0008685 Pa×s 411.87 Joback Calculated Property
η 0.0003992 Pa×s 465.77 Joback Calculated Property
η 0.0002156 Pa×s 519.68 Joback Calculated Property
η 0.0001307 Pa×s 573.59 Joback Calculated Property
η 0.0000864 Pa×s 627.49 Joback Calculated Property
η 0.0000609 Pa×s 681.39 Joback Calculated Property
η 0.0000453 Pa×s 735.30 Joback Calculated Property

Similar Compounds

Diglycolic acid, 4-bromophenyl isobutyl ester. Diglycolic acid, isobutyl 2-methoxyphenyl ester. Diglycolic acid, 4-chlorophenyl isobutyl ester. Diglycolic acid, isobutyl 2-naphthyl ester. Diglycolic acid, butyl 4-methoxyphenyl ester. Diglycolic acid, 2,6-dimethoxyphenyl isobutyl ester. Diglycolic acid, isobutyl 2-isopropoxyphenyl ester. Diglycolic acid, 4-methoxyphenyl pentyl ester. Diglycolic acid, isobutyl 3-methylphenyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 2-chlorophenyl isobutyl ester. Diglycolic acid, 2,4-dichlorophenyl isobutyl ester. Diglycolic acid, hexyl 4-methoxyphenyl ester. Diglycolic acid, 4-methoxyphenyl nonyl ester. Diglycolic acid, heptyl 4-methoxyphenyl ester.

Find more compounds similar to Diglycolic acid, isobutyl 4-methoxyphenyl ester.

Sources

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