Chemical Properties of Diethylmalonic acid, 2-acethylphenyl isobutyl ester

InChI

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

InChI Key

DQJKULUDGOSFRM-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccccc1C(C)=O

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).
• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[836.94; 906.31]	J/mol×K	[868.56; 1083.50]
Cp,gas	836.94	J/mol×K	868.56	Joback Calculated Property
Cp,gas	851.33	J/mol×K	904.38	Joback Calculated Property
Cp,gas	864.54	J/mol×K	940.21	Joback Calculated Property
Cp,gas	876.60	J/mol×K	976.03	Joback Calculated Property
Cp,gas	887.56	J/mol×K	1011.85	Joback Calculated Property
Cp,gas	897.45	J/mol×K	1047.67	Joback Calculated Property
Cp,gas	906.31	J/mol×K	1083.50	Joback Calculated Property
η	[0.0000434; 0.0005419]	Pa×s	[524.50; 868.56]
η	0.0005419	Pa×s	524.50	Joback Calculated Property
η	0.0002892	Pa×s	581.84	Joback Calculated Property
η	0.0001727	Pa×s	639.19	Joback Calculated Property
η	0.0001123	Pa×s	696.53	Joback Calculated Property
η	0.0000779	Pa×s	753.87	Joback Calculated Property
η	0.0000570	Pa×s	811.22	Joback Calculated Property
η	0.0000434	Pa×s	868.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-acethylphenyl 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.