Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl pentyl ester

InChI

InChI=1S/C19H27ClO4/c1-4-7-8-12-23-17(21)19(5-2,6-3)18(22)24-14-15-10-9-11-16(20)13-15/h9-11,13H,4-8,12,14H2,1-3H3

InChI Key

DCEUOJMFLOERNY-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Cl)c1

Molecular Weight¹

354.87

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[835.88; 910.02]	J/mol×K	[816.62; 1021.94]
Cp,gas	835.88	J/mol×K	816.62	Joback Calculated Property
Cp,gas	851.09	J/mol×K	850.84	Joback Calculated Property
Cp,gas	865.10	J/mol×K	885.06	Joback Calculated Property
Cp,gas	877.95	J/mol×K	919.28	Joback Calculated Property
Cp,gas	889.69	J/mol×K	953.50	Joback Calculated Property
Cp,gas	900.37	J/mol×K	987.72	Joback Calculated Property
Cp,gas	910.02	J/mol×K	1021.94	Joback Calculated Property
η	[0.0000338; 0.0007575]	Pa×s	[459.83; 816.62]
η	0.0007575	Pa×s	459.83	Joback Calculated Property
η	0.0003353	Pa×s	519.29	Joback Calculated Property
η	0.0001755	Pa×s	578.76	Joback Calculated Property
η	0.0001036	Pa×s	638.22	Joback Calculated Property
η	0.0000669	Pa×s	697.69	Joback Calculated Property
η	0.0000463	Pa×s	757.15	Joback Calculated Property
η	0.0000338	Pa×s	816.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl pentyl 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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