Chemical Properties of Diethylmalonic acid, monochloride, 3-chlorobenzyl ester

InChI

InChI=1S/C14H16Cl2O3/c1-3-14(4-2,12(16)17)13(18)19-9-10-6-5-7-11(15)8-10/h5-8H,3-4,9H2,1-2H3

InChI Key

KSCQBHVFCHRFAB-UHFFFAOYSA-N

Formula

C14H16Cl2O3

SMILES

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

Molecular Weight¹

303.18

• 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	[563.51; 626.82]	J/mol×K	[735.30; 958.24]
Cp,gas	563.51	J/mol×K	735.30	Joback Calculated Property
Cp,gas	576.53	J/mol×K	772.46	Joback Calculated Property
Cp,gas	588.49	J/mol×K	809.61	Joback Calculated Property
Cp,gas	599.45	J/mol×K	846.77	Joback Calculated Property
Cp,gas	609.45	J/mol×K	883.93	Joback Calculated Property
Cp,gas	618.55	J/mol×K	921.08	Joback Calculated Property
Cp,gas	626.82	J/mol×K	958.24	Joback Calculated Property
η	[0.0000919; 0.0011986]	Pa×s	[441.00; 735.30]
η	0.0011986	Pa×s	441.00	Joback Calculated Property
η	0.0006306	Pa×s	490.05	Joback Calculated Property
η	0.0003729	Pa×s	539.10	Joback Calculated Property
η	0.0002407	Pa×s	588.15	Joback Calculated Property
η	0.0001662	Pa×s	637.20	Joback Calculated Property
η	0.0001210	Pa×s	686.25	Joback Calculated Property
η	0.0000919	Pa×s	735.30	Joback Calculated Property

Similar Compounds

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