Chemical Properties of Diethylmalonic acid, butyl 3-methylbenzyl ester

InChI

InChI=1S/C19H28O4/c1-5-8-12-22-17(20)19(6-2,7-3)18(21)23-14-16-11-9-10-15(4)13-16/h9-11,13H,5-8,12,14H2,1-4H3

InChI Key

XNZZNQNBFPAGQW-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(C)c1

Molecular Weight¹

320.42

• 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).
• 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 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	[807.77; 889.75]	J/mol×K	[779.19; 980.38]
Cp,gas	807.77	J/mol×K	779.19	Joback Calculated Property
Cp,gas	824.31	J/mol×K	812.72	Joback Calculated Property
Cp,gas	839.65	J/mol×K	846.25	Joback Calculated Property
Cp,gas	853.82	J/mol×K	879.78	Joback Calculated Property
Cp,gas	866.87	J/mol×K	913.32	Joback Calculated Property
Cp,gas	878.83	J/mol×K	946.85	Joback Calculated Property
Cp,gas	889.75	J/mol×K	980.38	Joback Calculated Property
η	[0.0000398; 0.0010111]	Pa×s	[429.91; 779.19]
η	0.0010111	Pa×s	429.91	Joback Calculated Property
η	0.0004277	Pa×s	488.12	Joback Calculated Property
η	0.0002173	Pa×s	546.34	Joback Calculated Property
η	0.0001258	Pa×s	604.55	Joback Calculated Property
η	0.0000802	Pa×s	662.76	Joback Calculated Property
η	0.0000549	Pa×s	720.98	Joback Calculated Property
η	0.0000398	Pa×s	779.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 3-methylbenzyl 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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