Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl ethyl ester

InChI

InChI=1S/C16H21ClO4/c1-4-16(5-2,14(18)20-6-3)15(19)21-11-12-7-9-13(17)10-8-12/h7-10H,4-6,11H2,1-3H3

InChI Key

GBYJIXOOZLRTES-UHFFFAOYSA-N

Formula

C16H21ClO4

SMILES

CCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

312.79

• 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).
• 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, Ionization energy, 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	[667.50; 739.24]	J/mol×K	[747.98; 957.99]
Cp,gas	667.50	J/mol×K	747.98	Joback Calculated Property
Cp,gas	682.21	J/mol×K	782.98	Joback Calculated Property
Cp,gas	695.77	J/mol×K	817.98	Joback Calculated Property
Cp,gas	708.21	J/mol×K	852.98	Joback Calculated Property
Cp,gas	719.58	J/mol×K	887.99	Joback Calculated Property
Cp,gas	729.91	J/mol×K	922.99	Joback Calculated Property
Cp,gas	739.24	J/mol×K	957.99	Joback Calculated Property
η	[0.0000536; 0.0010995]	Pa×s	[426.02; 747.98]
η	0.0010995	Pa×s	426.02	Joback Calculated Property
η	0.0005014	Pa×s	479.68	Joback Calculated Property
η	0.0002678	Pa×s	533.34	Joback Calculated Property
η	0.0001604	Pa×s	587.00	Joback Calculated Property
η	0.0001047	Pa×s	640.66	Joback Calculated Property
η	0.0000730	Pa×s	694.32	Joback Calculated Property
η	0.0000536	Pa×s	747.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorobenzyl ethyl 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

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