Chemical Properties of Diethylmalonic acid, 4-acetylphenyl isobutyl ester

InChI

InChI=1S/C19H26O5/c1-6-19(7-2,17(21)23-12-13(3)4)18(22)24-16-10-8-15(9-11-16)14(5)20/h8-11,13H,6-7,12H2,1-5H3

InChI Key

OOPZZDQZXIRFMQ-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

334.41

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[826.08; 896.22]	J/mol×K	[832.62; 1043.19]
Cp,gas	826.08	J/mol×K	832.62	Joback Calculated Property
Cp,gas	840.80	J/mol×K	867.72	Joback Calculated Property
Cp,gas	854.25	J/mol×K	902.81	Joback Calculated Property
Cp,gas	866.48	J/mol×K	937.91	Joback Calculated Property
Cp,gas	877.52	J/mol×K	973.00	Joback Calculated Property
Cp,gas	887.42	J/mol×K	1008.10	Joback Calculated Property
Cp,gas	896.22	J/mol×K	1043.19	Joback Calculated Property
η	[0.0000341; 0.0008501]	Pa×s	[464.84; 832.62]
η	0.0008501	Pa×s	464.84	Joback Calculated Property
η	0.0003639	Pa×s	526.14	Joback Calculated Property
η	0.0001859	Pa×s	587.43	Joback Calculated Property
η	0.0001079	Pa×s	648.73	Joback Calculated Property
η	0.0000687	Pa×s	710.03	Joback Calculated Property
η	0.0000471	Pa×s	771.32	Joback Calculated Property
η	0.0000341	Pa×s	832.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl isobutyl 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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