Chemical Properties of Diethylmalonic acid, isobutyl 3-phenoxybenzyl ester

InChI

InChI=1S/C24H30O5/c1-5-24(6-2,22(25)27-16-18(3)4)23(26)28-17-19-11-10-14-21(15-19)29-20-12-8-7-9-13-20/h7-15,18H,5-6,16-17H2,1-4H3

InChI Key

LTSCTXSGQPPLAX-UHFFFAOYSA-N

Formula

C24H30O5

SMILES

CCC(CC)(C(=O)OCc1cccc(Oc2ccccc2)c1)C(=O)OCC(C)C

Molecular Weight¹

398.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[1033.22; 1095.13]	J/mol×K	[942.25; 1167.22]
Cp,gas	1033.22	J/mol×K	942.25	Joback Calculated Property
Cp,gas	1047.23	J/mol×K	979.74	Joback Calculated Property
Cp,gas	1059.68	J/mol×K	1017.24	Joback Calculated Property
Cp,gas	1070.63	J/mol×K	1054.73	Joback Calculated Property
Cp,gas	1080.14	J/mol×K	1092.23	Joback Calculated Property
Cp,gas	1088.29	J/mol×K	1129.72	Joback Calculated Property
Cp,gas	1095.13	J/mol×K	1167.22	Joback Calculated Property
η	[0.0000124; 0.0003194]	Pa×s	[519.91; 942.25]
η	0.0003194	Pa×s	519.91	Joback Calculated Property
η	0.0001346	Pa×s	590.30	Joback Calculated Property
η	0.0000682	Pa×s	660.69	Joback Calculated Property
η	0.0000394	Pa×s	731.08	Joback Calculated Property
η	0.0000251	Pa×s	801.47	Joback Calculated Property
η	0.0000172	Pa×s	871.86	Joback Calculated Property
η	0.0000124	Pa×s	942.25	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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